3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol

C14H16BrNOS — CID 65187627

IUPAC3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2sccc2Br)cc1
InChIInChI=1S/C14H16BrNOS/c1-9-2-4-10(5-3-9)11(8-16)13(17)14-12(15)6-7-18-14/h2-7,11,13,17H,8,16H2,1H3
InChIKeyUUZBRNAHJSTVSE-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.59
Rot. Bonds4

About 3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol

3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol (PubChem CID 65187627) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol
PubChem CID65187627
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2sccc2Br)cc1
InChIInChI=1S/C14H16BrNOS/c1-9-2-4-10(5-3-9)11(8-16)13(17)14-12(15)6-7-18-14/h2-7,11,13,17H,8,16H2,1H3
InChIKeyUUZBRNAHJSTVSE-UHFFFAOYSA-N
XLogP3.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)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-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65187789
3-amino-1-(3-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65189963
3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 81308542
3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol
CID 65187892
3-amino-2-(4-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188149
diethyl 2-[(3-bromothiophen-2-yl)-hydroxymethyl]propanedioate
CID 113298285
3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 80642172
1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol
CID 65187887
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 54863047
1-amino-2-(4-methylphenyl)pentan-3-ol
CID 65187998
1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol
CID 82987065
1-(3-bromothiophen-2-yl)pentane-1,2-diol
CID 103454860

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol (CID 65187627) is 3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol is Cc1ccc(C(CN)C(O)c2sccc2Br)cc1.
What is the InChIKey of 3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol?
The InChIKey is UUZBRNAHJSTVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-9-2-4-10(5-3-9)11(8-16)13(17)14-12(15)6-7-18-14/h2-7,11,13,17H,8,16H2,1H3.
What are the key properties of 3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol?
3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol has a molecular weight of 326.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 65187627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).