Chemical ID: 7110309

CCCNCc1ccc(c(c1)OC)OCCc2ccccc2
Chemical ID:
7110309
Name [?]:
N-[(3-methoxy-4-phenethyloxy-phenyl)methyl]propan-1-amine
SMILES [?]:
CCCNCc1ccc(c(c1)OC)OCCc2ccccc2
InChi [?]:
InChI=1/C19H25NO2/c1-3-12-20-15-17-9-10-18(19(14-17)21-2)22-13-11-16-7-5-4-6-8-16/h4-10,14,20H,3,11-13,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,20,19,21,18,22,7,8,16,3,15,11,5,17,6,9,10,4,12,14/E:(5,6)(7,8)/rA:22nCCCNCCCCCCCOCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s9;s14;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25NO2
All Atoms:47
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.3871
Area:554.707
Solvation:-4.48057
Coulombic:-26.0273
Bond Count [?]
All:23
Single:17
Double:6
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:299.407
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.74
LogP (Chemaxon):3.91

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