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

C9H12BrNO — CID 105487447

IUPAC1-(2-amino-4-bromophenyl)propan-1-ol
SMILESCCC(O)c1ccc(Br)cc1N
InChIInChI=1S/C9H12BrNO/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5,9,12H,2,11H2,1H3
InChIKeyJVYNTNKTUFBXBK-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.47
Rot. Bonds2

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

1-(2-amino-4-bromophenyl)propan-1-ol (PubChem CID 105487447) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 1-(2-amino-4-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-amino-4-bromophenyl)propan-1-ol
PubChem CID105487447
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name1-(2-amino-4-bromophenyl)propan-1-ol
SMILESCCC(O)c1ccc(Br)cc1N
InChIInChI=1S/C9H12BrNO/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5,9,12H,2,11H2,1H3
InChIKeyJVYNTNKTUFBXBK-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-amino-1-(2-amino-4-bromophenyl)propan-2-ol
CID 130943677
methyl 2-(2-amino-4-bromophenyl)butanoate
CID 143694344
1-(2-amino-4-bromophenyl)-3-sulfanylpropane-1,2-diol
CID 170820974
ethyl (2S)-2-(2-amino-4-bromophenyl)propanoate
CID 162468929
1-(2-amino-5-bromophenyl)hexan-1-ol
CID 82703402
1-(2-amino-5-bromophenyl)undecan-1-ol
CID 82703415
2-(1-amino-2-methoxyethyl)-5-bromoaniline
CID 130043001
1-(2-amino-5-bromophenyl)ethanol
CID 68865052
2-[(1R,2S)-1-amino-2-hydroxybutyl]-5-bromophenol
CID 130715024
1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol
CID 79533607
2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol
CID 107955010
1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol
CID 82928590

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromophenyl)propan-1-ol?
The IUPAC name of 1-(2-amino-4-bromophenyl)propan-1-ol (CID 105487447) is 1-(2-amino-4-bromophenyl)propan-1-ol.
What is the SMILES notation for 1-(2-amino-4-bromophenyl)propan-1-ol?
The canonical SMILES for 1-(2-amino-4-bromophenyl)propan-1-ol is CCC(O)c1ccc(Br)cc1N.
What is the InChIKey of 1-(2-amino-4-bromophenyl)propan-1-ol?
The InChIKey is JVYNTNKTUFBXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5,9,12H,2,11H2,1H3.
What are the key properties of 1-(2-amino-4-bromophenyl)propan-1-ol?
1-(2-amino-4-bromophenyl)propan-1-ol has a molecular weight of 230.10 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromophenyl)propan-1-ol is sourced from PubChem (CID 105487447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).