[4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol

C14H17NOS — CID 135367823

IUPAC[4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol
SMILESCN(C)C(c1ccccc1)c1csc(CO)c1
InChIInChI=1S/C14H17NOS/c1-15(2)14(11-6-4-3-5-7-11)12-8-13(9-16)17-10-12/h3-8,10,14,16H,9H2,1-2H3
InChIKeyNJJPKAPMEBFDJW-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.89
Rot. Bonds4

About [4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol

[4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol (PubChem CID 135367823) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is [4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol
PubChem CID135367823
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name[4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol
SMILESCN(C)C(c1ccccc1)c1csc(CO)c1
InChIInChI=1S/C14H17NOS/c1-15(2)14(11-6-4-3-5-7-11)12-8-13(9-16)17-10-12/h3-8,10,14,16H,9H2,1-2H3
InChIKeyNJJPKAPMEBFDJW-UHFFFAOYSA-N
XLogP2.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol
CID 55292824
N,N-dimethyl-1-(4-methylphenyl)-1-phenylmethanamine
CID 102196523
1-[2-[dimethylamino(phenyl)methyl]phenyl]-N,N-dimethyl-1-phenylmethanamine
CID 139888809
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247
(2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol
CID 10409506
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
2-[benzhydryl(methyl)amino]-1-phenylethanol
CID 3505407
(4-ethylthiophen-2-yl)methanol
CID 23261287

Frequently Asked Questions

What is the IUPAC name of [4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol?
The IUPAC name of [4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol (CID 135367823) is [4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol.
What is the SMILES notation for [4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol?
The canonical SMILES for [4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol is CN(C)C(c1ccccc1)c1csc(CO)c1.
What is the InChIKey of [4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol?
The InChIKey is NJJPKAPMEBFDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-15(2)14(11-6-4-3-5-7-11)12-8-13(9-16)17-10-12/h3-8,10,14,16H,9H2,1-2H3.
What are the key properties of [4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol?
[4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol has a molecular weight of 247.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol is sourced from PubChem (CID 135367823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).