Chemical ID: 6662689

Cc1ccc(cc1Cl)NCc2cccc(c2OC)OC
Chemical ID:
6662689
Name [?]:
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4-methyl-aniline
SMILES [?]:
Cc1ccc(cc1Cl)NCc2cccc(c2OC)OC
InChi [?]:
InChI=1/C16H18ClNO2/c1-11-7-8-13(9-14(11)17)18-10-12-5-4-6-15(19-2)16(12)20-3/h4-9,18H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,18,13,12,14,3,4,6,10,2,11,5,7,15,16,8,9,19,17/rA:20nCCCCCCCClNCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s15;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18ClNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.24959
Area:487.278
Solvation:-3.93236
Coulombic:-28.4227
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.772
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.79
LogP (Chemaxon):3.88

Name Annotations

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Descriptor Annotations

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