Chemical ID: 7086278

CCOc1ccc(cc1)NCc2cccc(c2)Cl
Chemical ID:
7086278
Name [?]:
N-[(3-chlorophenyl)methyl]-4-ethoxy-aniline
SMILES [?]:
CCOc1ccc(cc1)NCc2cccc(c2)Cl
InChi [?]:
InChI=1/C15H16ClNO/c1-2-18-15-8-6-14(7-9-15)17-11-12-4-3-5-13(16)10-12/h3-10,17H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,6,8,5,9,17,11,12,16,7,4,18,10,3/E:(6,7)(8,9)/rA:18nCCOCCCCCCNCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16ClNO
All Atoms:34
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.51406
Area:476.26
Solvation:-2.39244
Coulombic:-21.5715
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:4.34
LogP (Chemaxon):4.0

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Descriptor Annotations

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