1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol

C14H16BrNOS — CID 111421817

IUPAC1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol
SMILESCC(NCc1ccsc1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrNOS/c1-10(16-8-11-6-7-18-9-11)14(17)12-2-4-13(15)5-3-12/h2-7,9-10,14,16-17H,8H2,1H3
InChIKeyFWKXAQFMJOAWLC-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.72
Rot. Bonds5

About 1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol

1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol (PubChem CID 111421817) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol
PubChem CID111421817
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol
SMILESCC(NCc1ccsc1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrNOS/c1-10(16-8-11-6-7-18-9-11)14(17)12-2-4-13(15)5-3-12/h2-7,9-10,14,16-17H,8H2,1H3
InChIKeyFWKXAQFMJOAWLC-UHFFFAOYSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-2-(thiophen-3-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

3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine
CID 115709542
1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol
CID 111421815
1-(4-bromophenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82312926
4-[2-(benzylamino)-1-hydroxypropyl]phenol
CID 78021980
4-[(1R)-2-(benzylamino)-1-hydroxypropyl]phenol
CID 71176331
1-(4-bromophenyl)-2-(1H-pyrazol-5-ylmethylamino)propan-1-ol
CID 111421808
(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
CID 51883451
2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine
CID 63248200
1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
CID 65025507
(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81371445
2-(thiophen-3-ylmethylamino)propane-1,3-diol
CID 65312761
1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 60976741

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol (CID 111421817) is 1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol is CC(NCc1ccsc1)C(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol?
The InChIKey is FWKXAQFMJOAWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-10(16-8-11-6-7-18-9-11)14(17)12-2-4-13(15)5-3-12/h2-7,9-10,14,16-17H,8H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol?
1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol has a molecular weight of 326.26 g/mol, XLogP of 3.72, 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-(thiophen-3-ylmethylamino)propan-1-ol is sourced from PubChem (CID 111421817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).