4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol

C12H12BrNOS — CID 115741779

IUPAC4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol
SMILESOc1ccc(Br)c(CNCc2cccs2)c1
InChIInChI=1S/C12H12BrNOS/c13-12-4-3-10(15)6-9(12)7-14-8-11-2-1-5-16-11/h1-6,14-15H,7-8H2
InChIKeyVMGONKGHKQZPDN-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.51
Rot. Bonds4

About 4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol

4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol (PubChem CID 115741779) has the molecular formula C12H12BrNOS and a molecular weight of 298.20 g/mol. Its IUPAC name is 4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol
PubChem CID115741779
Molecular FormulaC12H12BrNOS
Molecular Weight298.20 g/mol
Exact Mass296.98
IUPAC Name4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol
SMILESOc1ccc(Br)c(CNCc2cccs2)c1
InChIInChI=1S/C12H12BrNOS/c13-12-4-3-10(15)6-9(12)7-14-8-11-2-1-5-16-11/h1-6,14-15H,7-8H2
InChIKeyVMGONKGHKQZPDN-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol 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

1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 107938689
2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 20776955
5-bromo-2-[(thiophen-2-ylmethylamino)methyl]pyridin-3-ol
CID 167933826
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 79981814
4-[[(4-bromothiophen-2-yl)methylamino]methyl]benzene-1,3-diol
CID 63378742
N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 165445282
N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 6457831
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-thiophen-2-ylmethanamine
CID 66535171
[4-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol
CID 83962635
2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
CID 115741782
1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17289837
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-thiophen-2-ylethanamine
CID 43392051

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol?
The IUPAC name of 4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol (CID 115741779) is 4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol.
What is the SMILES notation for 4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol?
The canonical SMILES for 4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol is Oc1ccc(Br)c(CNCc2cccs2)c1.
What is the InChIKey of 4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol?
The InChIKey is VMGONKGHKQZPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c13-12-4-3-10(15)6-9(12)7-14-8-11-2-1-5-16-11/h1-6,14-15H,7-8H2.
What are the key properties of 4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol?
4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol has a molecular weight of 298.20 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol is sourced from PubChem (CID 115741779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).