Chemical ID: 6332584

CC(CN(C)C)(c1ccc(cc1)Br)O
Chemical ID:
6332584
Name [?]:
2-(4-bromophenyl)-1-dimethylamino-propan-2-ol
SMILES [?]:
CC(CN(C)C)(c1ccc(cc1)Br)O
InChi [?]:
InChI=1/C11H16BrNO/c1-11(14,8-13(2)3)9-4-6-10(12)7-5-9/h4-7,14H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,6,8,12,9,11,3,7,10,2,13,4,14/E:(2,3)(4,5)(6,7)/rA:14cCCCNCCCCCCCCBrO/rB:s1;s2;s3;s4;s4;s2;s7;d8;s9;d10;d7s11;s10;s2;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16BrNO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.79245
Area:384.869
Solvation:-1.82927
Coulombic:-23.7692
Bond Count [?]
All:14
Single:11
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:258.155
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.08
LogP (Chemaxon):2.43

Name Annotations

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Descriptor Annotations

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