Chemical ID: 6692954

CC(Cc1cc(c(cc1OC)Br)OC)N
Chemical ID:
6692954
Name [?]:
1-(4-bromo-2,5-dimethoxy-phenyl)propan-2-amine
SMILES [?]:
CC(Cc1cc(c(cc1OC)Br)OC)N
InChi [?]:
InChI=1/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,11,14,3,5,8,2,4,7,9,6,12,15,10,13/rA:15cCCCCCCCCCOCBrOCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s6;s13;s2;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16BrNO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.31132
Area:398.059
Solvation:-3.64014
Coulombic:-26.0764
Bond Count [?]
All:15
Single:12
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:274.154
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.39
LogP (Chemaxon):2.11

Name Annotations

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Descriptor Annotations

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