(1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol

C14H16BrNOS — CID 125467354

IUPAC(1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol
SMILESCc1ccc(CNC[C@@H](O)c2ccc(Br)cc2)s1
InChIInChI=1S/C14H16BrNOS/c1-10-2-7-13(18-10)8-16-9-14(17)11-3-5-12(15)6-4-11/h2-7,14,16-17H,8-9H2,1H3/t14-/m1/s1
InChIKeyOLNUOBWWCDSXHR-CQSZACIVSA-N
MW326.26 g/mol
LogP3.64
Rot. Bonds5

About (1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol

(1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol (PubChem CID 125467354) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol
PubChem CID125467354
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name(1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol
SMILESCc1ccc(CNC[C@@H](O)c2ccc(Br)cc2)s1
InChIInChI=1S/C14H16BrNOS/c1-10-2-7-13(18-10)8-16-9-14(17)11-3-5-12(15)6-4-11/h2-7,14,16-17H,8-9H2,1H3/t14-/m1/s1
InChIKeyOLNUOBWWCDSXHR-CQSZACIVSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol 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

(1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol
CID 7248561
1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663960
(2S)-3-[(5-methylthiophen-2-yl)methylamino]propane-1,2-diol
CID 62056240
4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
CID 111448862
4-methyl-1-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
CID 103631692
2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine
CID 64571063
2-[(5-bromothiophen-2-yl)methylamino]-1-(4-nitrophenyl)ethanol
CID 78953766
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
(1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol
CID 138017487
(2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol
CID 96500046
3,3-dimethyl-1-N-[(5-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 112555984
2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine
CID 62054518

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol?
The IUPAC name of (1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol (CID 125467354) is (1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol?
The canonical SMILES for (1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol is Cc1ccc(CNC[C@@H](O)c2ccc(Br)cc2)s1.
What is the InChIKey of (1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol?
The InChIKey is OLNUOBWWCDSXHR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-10-2-7-13(18-10)8-16-9-14(17)11-3-5-12(15)6-4-11/h2-7,14,16-17H,8-9H2,1H3/t14-/m1/s1.
What are the key properties of (1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol?
(1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol has a molecular weight of 326.26 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol is sourced from PubChem (CID 125467354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).