Chemical ID: 7088196

COc1ccc(cc1Cl)CCN
Chemical ID:
7088196
Name [?]:
2-(3-chloro-4-methoxy-phenyl)ethanamine
SMILES [?]:
COc1ccc(cc1Cl)CCN
InChi [?]:
InChI=1/C9H12ClNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,10,11,7,6,8,3,9,12,2/rA:12nCOCCCCCCClCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12ClNO
All Atoms:24
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.65506
Area:359.752
Solvation:-2.33873
Coulombic:-20.8411
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:185.65
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.84
LogP (Chemaxon):1.68

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Experimental Annotations

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Descriptor Annotations

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