[4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol

C15H18BrNOS — CID 61452163

IUPAC[4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol
SMILESCC(C)N(Cc1cccs1)c1cc(Br)ccc1CO
InChIInChI=1S/C15H18BrNOS/c1-11(2)17(9-14-4-3-7-19-14)15-8-13(16)6-5-12(15)10-18/h3-8,11,18H,9-10H2,1-2H3
InChIKeyCCCXBQIYJCQMLY-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.42
Rot. Bonds5

About [4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol

[4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol (PubChem CID 61452163) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is [4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol
PubChem CID61452163
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name[4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol
SMILESCC(C)N(Cc1cccs1)c1cc(Br)ccc1CO
InChIInChI=1S/C15H18BrNOS/c1-11(2)17(9-14-4-3-7-19-14)15-8-13(16)6-5-12(15)10-18/h3-8,11,18H,9-10H2,1-2H3
InChIKeyCCCXBQIYJCQMLY-UHFFFAOYSA-N
XLogP4.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol 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

5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 63551371
2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 114889562
4-bromo-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 114903971
5-bromo-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 114892475
5-bromo-2-(bromomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107080216
5-bromo-N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 63552450
(1S)-1-[3-chloro-4-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78940291
4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107274799
2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107926098
3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55055076
[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol
CID 54946484
5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
CID 54946602

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol?
The IUPAC name of [4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol (CID 61452163) is [4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol.
What is the SMILES notation for [4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol?
The canonical SMILES for [4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol is CC(C)N(Cc1cccs1)c1cc(Br)ccc1CO.
What is the InChIKey of [4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol?
The InChIKey is CCCXBQIYJCQMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-11(2)17(9-14-4-3-7-19-14)15-8-13(16)6-5-12(15)10-18/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of [4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol?
[4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol has a molecular weight of 340.29 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol is sourced from PubChem (CID 61452163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).