Chemical ID: 7093844

Cc1cc(ccc1Cl)OCCN
Chemical ID:
7093844
Name [?]:
2-(4-chloro-3-methyl-phenoxy)ethanamine
SMILES [?]:
Cc1cc(ccc1Cl)OCCN
InChi [?]:
InChI=1/C9H12ClNO/c1-7-6-8(12-5-4-11)2-3-9(7)10/h2-3,6H,4-5,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,11,10,3,2,4,7,8,12,9/rA:12nCCCCCCCClOCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12ClNO
All Atoms:24
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.3897
Area:357.604
Solvation:-2.55042
Coulombic:-20.1153
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:2.01
LogP (Chemaxon):1.99

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Descriptor Annotations

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