Chemical ID: 7101597

CNCc1ccc(cc1)OCc2ccc(cc2)Cl
Chemical ID:
7101597
Name [?]:
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]methanamine
SMILES [?]:
CNCc1ccc(cc1)OCc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H16ClNO/c1-17-10-12-4-8-15(9-5-12)18-11-13-2-6-14(16)7-3-13/h2-9,17H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,17,5,9,14,16,6,8,3,11,4,12,15,7,18,2,10/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCNCCCCCCCOCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16ClNO
All Atoms:34
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.26745
Area:476.481
Solvation:-2.64457
Coulombic:-19.0675
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.746
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.78
LogP (Chemaxon):3.61

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Descriptor Annotations

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