[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride

C13H16ClNOS — CID 115615873

IUPAC[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
SMILESCl.OCc1cccc(CNCc2cccs2)c1
InChIInChI=1S/C13H15NOS.ClH/c15-10-12-4-1-3-11(7-12)8-14-9-13-5-2-6-16-13;/h1-7,14-15H,8-10H2;1H
InChIKeyNHRUJDHNUPVIPO-UHFFFAOYSA-N
MW269.80 g/mol
LogP2.95
Rot. Bonds5

About [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride

[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride (PubChem CID 115615873) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
PubChem CID115615873
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC Name[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
SMILESCl.OCc1cccc(CNCc2cccs2)c1
InChIInChI=1S/C13H15NOS.ClH/c15-10-12-4-1-3-11(7-12)8-14-9-13-5-2-6-16-13;/h1-7,14-15H,8-10H2;1H
InChIKeyNHRUJDHNUPVIPO-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride 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

[4-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol
CID 83962635
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 1460717
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 119107424
[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol
CID 103648607
1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17213569
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 54798944
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54798947
[3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol
CID 107230485
2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline
CID 61150338

Frequently Asked Questions

What is the IUPAC name of [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride?
The IUPAC name of [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride (CID 115615873) is [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride.
What is the SMILES notation for [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride?
The canonical SMILES for [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride is Cl.OCc1cccc(CNCc2cccs2)c1.
What is the InChIKey of [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride?
The InChIKey is NHRUJDHNUPVIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS.ClH/c15-10-12-4-1-3-11(7-12)8-14-9-13-5-2-6-16-13;/h1-7,14-15H,8-10H2;1H.
What are the key properties of [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride?
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride has a molecular weight of 269.80 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride is sourced from PubChem (CID 115615873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).