1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol

C17H20BrNOS — CID 62618661

IUPAC1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol
SMILESOC(CCN(Cc1cccs1)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNOS/c18-14-4-1-3-13(11-14)17(20)8-9-19(15-6-7-15)12-16-5-2-10-21-16/h1-5,10-11,15,17,20H,6-9,12H2
InChIKeyNMSVGCIFACXFTF-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.60
Rot. Bonds7

About 1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol

1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol (PubChem CID 62618661) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol
PubChem CID62618661
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC Name1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol
SMILESOC(CCN(Cc1cccs1)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNOS/c18-14-4-1-3-13(11-14)17(20)8-9-19(15-6-7-15)12-16-5-2-10-21-16/h1-5,10-11,15,17,20H,6-9,12H2
InChIKeyNMSVGCIFACXFTF-UHFFFAOYSA-N
XLogP4.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]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-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62619701
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
CID 110885623
N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 55249177
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol
CID 110885670
1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 62617811
1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486833
N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 63655817
1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
CID 63489449
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812
1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 63234218

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol (CID 62618661) is 1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol is OC(CCN(Cc1cccs1)C1CC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol?
The InChIKey is NMSVGCIFACXFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c18-14-4-1-3-13(11-14)17(20)8-9-19(15-6-7-15)12-16-5-2-10-21-16/h1-5,10-11,15,17,20H,6-9,12H2.
What are the key properties of 1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol?
1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol has a molecular weight of 366.32 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 62618661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).