1-amino-2-(4-bromophenyl)propan-2-ol

C9H12BrNO — CID 19424694

IUPAC1-amino-2-(4-bromophenyl)propan-2-ol
SMILESCC(O)(CN)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-9(12,6-11)7-2-4-8(10)5-3-7/h2-5,12H,6,11H2,1H3
InChIKeyQJGNVTOFOKTFAU-UHFFFAOYSA-N
MW230.10 g/mol
LogP1.62
Rot. Bonds2

About 1-amino-2-(4-bromophenyl)propan-2-ol

1-amino-2-(4-bromophenyl)propan-2-ol (PubChem CID 19424694) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 1-amino-2-(4-bromophenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(4-bromophenyl)propan-2-ol
PubChem CID19424694
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name1-amino-2-(4-bromophenyl)propan-2-ol
SMILESCC(O)(CN)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-9(12,6-11)7-2-4-8(10)5-3-7/h2-5,12H,6,11H2,1H3
InChIKeyQJGNVTOFOKTFAU-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
1-amino-2-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62774941
3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79126815
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol
CID 83748925
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol
CID 21396520
1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol
CID 82647794
[2-(4-bromophenyl)-2-hydroxypropyl] acetate
CID 126832799
1-amino-2-(4-methylsulfonylphenyl)propan-2-ol
CID 62773186
[(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium
CID 7233361

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-bromophenyl)propan-2-ol?
The IUPAC name of 1-amino-2-(4-bromophenyl)propan-2-ol (CID 19424694) is 1-amino-2-(4-bromophenyl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(4-bromophenyl)propan-2-ol?
The canonical SMILES for 1-amino-2-(4-bromophenyl)propan-2-ol is CC(O)(CN)c1ccc(Br)cc1.
What is the InChIKey of 1-amino-2-(4-bromophenyl)propan-2-ol?
The InChIKey is QJGNVTOFOKTFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-9(12,6-11)7-2-4-8(10)5-3-7/h2-5,12H,6,11H2,1H3.
What are the key properties of 1-amino-2-(4-bromophenyl)propan-2-ol?
1-amino-2-(4-bromophenyl)propan-2-ol has a molecular weight of 230.10 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-bromophenyl)propan-2-ol is sourced from PubChem (CID 19424694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).