1-[1-(4-bromophenyl)ethylamino]pentan-2-ol

C13H20BrNO — CID 111755561

IUPAC1-[1-(4-bromophenyl)ethylamino]pentan-2-ol
SMILESCCCC(O)CNC(C)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-3-4-13(16)9-15-10(2)11-5-7-12(14)8-6-11/h5-8,10,13,15-16H,3-4,9H2,1-2H3
InChIKeyHMAYAVSWXLZCAE-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.26
Rot. Bonds6

About 1-[1-(4-bromophenyl)ethylamino]pentan-2-ol

1-[1-(4-bromophenyl)ethylamino]pentan-2-ol (PubChem CID 111755561) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethylamino]pentan-2-ol
PubChem CID111755561
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-[1-(4-bromophenyl)ethylamino]pentan-2-ol
SMILESCCCC(O)CNC(C)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-3-4-13(16)9-15-10(2)11-5-7-12(14)8-6-11/h5-8,10,13,15-16H,3-4,9H2,1-2H3
InChIKeyHMAYAVSWXLZCAE-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-bromophenyl)ethylamino]pentan-2-ol 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-[[(1S)-1-(4-bromophenyl)ethyl]amino]propan-2-ol
CID 93082226
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-3-(dimethylamino)propan-2-ol
CID 81360198
1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729373
ethyl 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylpropanoate
CID 81359959
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylpropanoic acid
CID 81359638
N-[1-(4-bromophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548377
1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
CID 60734196
N-[1-(4-bromophenyl)ethyl]hexan-3-amine
CID 63476564
1-[1-(4-bromophenyl)propylamino]butan-2-ol
CID 115899581
N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine
CID 81359555
methyl 3-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-methylpropanoate
CID 81359899
1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol
CID 102976587

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)ethylamino]pentan-2-ol?
The IUPAC name of 1-[1-(4-bromophenyl)ethylamino]pentan-2-ol (CID 111755561) is 1-[1-(4-bromophenyl)ethylamino]pentan-2-ol.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethylamino]pentan-2-ol?
The canonical SMILES for 1-[1-(4-bromophenyl)ethylamino]pentan-2-ol is CCCC(O)CNC(C)c1ccc(Br)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)ethylamino]pentan-2-ol?
The InChIKey is HMAYAVSWXLZCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-3-4-13(16)9-15-10(2)11-5-7-12(14)8-6-11/h5-8,10,13,15-16H,3-4,9H2,1-2H3.
What are the key properties of 1-[1-(4-bromophenyl)ethylamino]pentan-2-ol?
1-[1-(4-bromophenyl)ethylamino]pentan-2-ol has a molecular weight of 286.21 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)ethylamino]pentan-2-ol is sourced from PubChem (CID 111755561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).