Chemical ID: 7975790

Cc1cc(cc(c1Cl)C)OCCOc2cc(ccc2OC)CN
Chemical ID:
7975790
Name [?]:
[3-[2-(4-chloro-3,5-dimethyl-phenoxy)ethoxy]-4-methoxy-phenyl]methanamine
SMILES [?]:
Cc1cc(cc(c1Cl)C)OCCOc2cc(ccc2OC)CN
InChi [?]:
InChI=1/C18H22ClNO3/c1-12-8-15(9-13(2)18(12)19)22-6-7-23-17-10-14(11-20)4-5-16(17)21-3/h4-5,8-10H,6-7,11,20H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,21,17,18,11,12,3,5,15,22,2,6,16,4,19,14,7,8,23,20,10,13/E:(1,2)(8,9)(12,13)/rA:23nCCCCCCCClCOCCOCCCCCCOCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s16;s22;/rC:-.0184,1.5028,.0103;.0021,-.0041,.002;.0058,-.6878,-1.1984;.0251,-2.0748,-1.2055;.0406,-2.7727,-.0067;.0368,-2.0854,1.1917;.0229,-.7018,1.1967;.0182,.1596,2.7039;.0537,-2.843,2.4943;.0283,-2.7493,-2.3856;.0493,-4.1418,-2.0654;.054,-4.9621,-3.3569;1.2681,-4.7199,-4.0706;1.2152,-5.4716,-5.2027;.1074,-6.2634,-5.4592;.055,-7.0266,-6.6107;1.1064,-7.0024,-7.5081;2.2148,-6.215,-7.258;2.2709,-5.4429,-6.1087;3.3603,-4.6673,-5.8614;4.2617,-4.8609,-6.9532;-1.1506,-7.8871,-6.8881;-2.1401,-7.113,-7.6495;

Chemical Details

Atom Count
Formula:C18H22ClNO3
All Atoms:45
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.56538
Area:561.631
Solvation:-6.47539
Coulombic:-34.3302
Bond Count [?]
All:46
Single:40
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:335.825
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.37
LogP (Chemaxon):3.73

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Descriptor Annotations

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