Chemical ID: 7108961

CCC(C)NCc1cc(ccc1OC)Cl
Chemical ID:
7108961
Name [?]:
N-[(5-chloro-2-methoxy-phenyl)methyl]butan-2-amine
SMILES [?]:
CCC(C)NCc1cc(ccc1OC)Cl
InChi [?]:
InChI=1/C12H18ClNO/c1-4-9(2)14-8-10-7-11(13)5-6-12(10)15-3/h5-7,9,14H,4,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,14,2,10,11,8,6,3,7,9,12,15,5,13/rA:15cCCCCNCCCCCCCOCCl/rB:s1;s2;s3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s9;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18ClNO
All Atoms:33
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.10265
Area:423.913
Solvation:-2.49518
Coulombic:-17.2071
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:227.73
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.31
LogP (Chemaxon):3.06

Name Annotations

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Descriptor Annotations

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