Chemical ID: 4953128

CC(Cc1ccccc1OC)N(CCCl)C(C)Cc2ccccc2OC
Chemical ID:
4953128
Name [?]:
N-(2-chloroethyl)-1-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)-1-methyl-ethyl]-propan-2-amine
SMILES [?]:
CC(Cc1ccccc1OC)N(CCCl)C(C)Cc2ccccc2OC
InChi [?]:
InChI=1/C22H30ClNO2/c1-17(15-19-9-5-7-11-21(19)25-3)24(14-13-23)18(2)16-20-10-6-8-12-22(20)26-4/h5-12,17-18H,13-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,11,26,6,21,7,22,5,20,8,23,14,13,3,18,2,16,4,19,9,24,15,12,10,25/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)(17,18)(19,20)(21,22)(25,26)/rA:26cCCCCCCCCCOCNCCClCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s2;s12;s13;s14;s12;s16;s16;s18;s19;d20;s21;d22;d19s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30ClNO2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:9.56189
Area:517.638
Solvation:-3.37907
Coulombic:-21.2621
Bond Count [?]
All:27
Single:21
Double:6
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:375.932
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.31
LogP (Chemaxon):5.24

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Descriptor Annotations

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