1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol

C15H17BrN2O — CID 111421815

IUPAC1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol
SMILESCC(NCc1ccccn1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-11(18-10-14-4-2-3-9-17-14)15(19)12-5-7-13(16)8-6-12/h2-9,11,15,18-19H,10H2,1H3
InChIKeyZBXFXSOFPRORBX-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.06
Rot. Bonds5

About 1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol

1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol (PubChem CID 111421815) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol
PubChem CID111421815
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol
SMILESCC(NCc1ccccn1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-11(18-10-14-4-2-3-9-17-14)15(19)12-5-7-13(16)8-6-12/h2-9,11,15,18-19H,10H2,1H3
InChIKeyZBXFXSOFPRORBX-UHFFFAOYSA-N
XLogP3.06
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-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

1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43178958
(2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol
CID 97238015
(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 28618020
3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 43201494
1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol
CID 111421817
1-(4-bromophenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82312926
2-[[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
CID 94800663
2-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
CID 51099693
(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 95274019
[(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea
CID 99792892
(1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81359642
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol (CID 111421815) is 1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol is CC(NCc1ccccn1)C(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol?
The InChIKey is ZBXFXSOFPRORBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11(18-10-14-4-2-3-9-17-14)15(19)12-5-7-13(16)8-6-12/h2-9,11,15,18-19H,10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol?
1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol has a molecular weight of 321.22 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 111421815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).