1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol

C14H16BrNOS — CID 102835062

IUPAC1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol
SMILESCc1sc(CNc2ccccc2C(C)O)cc1Br
InChIInChI=1S/C14H16BrNOS/c1-9(17)12-5-3-4-6-14(12)16-8-11-7-13(15)10(2)18-11/h3-7,9,16-17H,8H2,1-2H3
InChIKeyOZQQXWGDJPRYNK-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.48
Rot. Bonds4

About 1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol

1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol (PubChem CID 102835062) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol
PubChem CID102835062
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol
SMILESCc1sc(CNc2ccccc2C(C)O)cc1Br
InChIInChI=1S/C14H16BrNOS/c1-9(17)12-5-3-4-6-14(12)16-8-11-7-13(15)10(2)18-11/h3-7,9,16-17H,8H2,1-2H3
InChIKeyOZQQXWGDJPRYNK-UHFFFAOYSA-N
XLogP4.48
TPSA32.26 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 ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]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

N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,4-di(propan-2-yl)aniline
CID 102832541
methyl 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]benzoate
CID 102831498
2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide
CID 102833084
5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline
CID 102833355
3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol
CID 102833788
4-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,5-dimethylphenol
CID 106953702
4-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-fluoroaniline
CID 102830284
1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol
CID 62698299
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine
CID 102831045
N-[(4-bromo-5-methylthiophen-2-yl)methyl]isoquinolin-5-amine
CID 102832061
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline
CID 102834467
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol
CID 102831611

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol?
The IUPAC name of 1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol (CID 102835062) is 1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol.
What is the SMILES notation for 1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol?
The canonical SMILES for 1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol is Cc1sc(CNc2ccccc2C(C)O)cc1Br.
What is the InChIKey of 1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol?
The InChIKey is OZQQXWGDJPRYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-9(17)12-5-3-4-6-14(12)16-8-11-7-13(15)10(2)18-11/h3-7,9,16-17H,8H2,1-2H3.
What are the key properties of 1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol?
1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol has a molecular weight of 326.26 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol is sourced from PubChem (CID 102835062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).