3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride

C10H15BrClNO — CID 69162278

IUPAC3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride
SMILESCl.NC(CCO)Cc1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO.ClH/c11-9-3-1-8(2-4-9)7-10(12)5-6-13;/h1-4,10,13H,5-7,12H2;1H
InChIKeyHZUSFJWUBDAYCC-UHFFFAOYSA-N
MW280.59 g/mol
LogP2.12
Rot. Bonds4

About 3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride

3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride (PubChem CID 69162278) has the molecular formula C10H15BrClNO and a molecular weight of 280.59 g/mol. Its IUPAC name is 3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride
PubChem CID69162278
Molecular FormulaC10H15BrClNO
Molecular Weight280.59 g/mol
Exact Mass279.00
IUPAC Name3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride
SMILESCl.NC(CCO)Cc1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO.ClH/c11-9-3-1-8(2-4-9)7-10(12)5-6-13;/h1-4,10,13H,5-7,12H2;1H
InChIKeyHZUSFJWUBDAYCC-UHFFFAOYSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.59
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(4-bromophenyl)pentan-2-amine
CID 104932340
1-(4-bromophenyl)-5,5-dimethylhexan-2-amine
CID 62606824
2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
1-(4-bromophenyl)pent-4-yn-2-amine
CID 62232609
2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride
CID 170893490
ethyl (3R)-3-amino-4-(4-bromophenyl)butanoate
CID 59607859
(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 178200029
1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63411923
4-(4-bromophenyl)but-1-ene-2,3-diamine
CID 139569108
[2-amino-3-(4-bromophenyl)propyl] propanoate
CID 151801688
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-2-amine
CID 55095389
(2R)-2-amino-3-(4-bromophenyl)propanoyl iodide
CID 90069243

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride?
The IUPAC name of 3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride (CID 69162278) is 3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride is Cl.NC(CCO)Cc1ccc(Br)cc1.
What is the InChIKey of 3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride?
The InChIKey is HZUSFJWUBDAYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO.ClH/c11-9-3-1-8(2-4-9)7-10(12)5-6-13;/h1-4,10,13H,5-7,12H2;1H.
What are the key properties of 3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride?
3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride has a molecular weight of 280.59 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 69162278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).