Chemical ID: 7100589

CC(c1ccccc1)NCc2ccccc2OCc3ccc(cc3)Cl
Chemical ID:
7100589
Name [?]:
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenyl-ethanamine
SMILES [?]:
CC(c1ccccc1)NCc2ccccc2OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H22ClNO/c1-17(19-7-3-2-4-8-19)24-15-20-9-5-6-10-22(20)25-16-18-11-13-21(23)14-12-18/h2-14,17,24H,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,13,14,4,8,12,15,20,24,21,23,10,18,2,19,3,11,22,16,25,9,17/E:(3,4)(7,8)(11,12)(13,14)/rA:25cCCCCCCCCNCCCCCCCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22ClNO
All Atoms:47
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.6727
Area:599.38
Solvation:-3.3118
Coulombic:-20.7845
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:351.869
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.02
LogP (Chemaxon):5.8

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Descriptor Annotations

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