Chemical ID: 4461916

CCOc1ccccc1CNc2cc(ccc2C)Cl
Chemical ID:
4461916
Name [?]:
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methyl-aniline
SMILES [?]:
CCOc1ccccc1CNc2cc(ccc2C)Cl
InChi [?]:
InChI=1/C16H18ClNO/c1-3-19-16-7-5-4-6-13(16)11-18-15-10-14(17)9-8-12(15)2/h4-10,18H,3,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,7,6,8,5,16,15,13,10,17,9,14,12,4,19,11,3/rA:19nCCOCCCCCCCNCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18ClNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.83923
Area:490.966
Solvation:-2.43493
Coulombic:-21.5053
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:275.773
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.56
LogP (Chemaxon):4.47

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Descriptor Annotations

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