[4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol

C19H19NOS — CID 14324031

IUPAC[4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol
SMILESCN(C)c1ccc(C(O)(c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C19H19NOS/c1-20(2)17-12-10-16(11-13-17)19(21,18-9-6-14-22-18)15-7-4-3-5-8-15/h3-14,21H,1-2H3
InChIKeyDXYPVXPJDCKZQI-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.10
Rot. Bonds4

About [4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol

[4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol (PubChem CID 14324031) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol
PubChem CID14324031
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC Name[4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol
SMILESCN(C)c1ccc(C(O)(c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C19H19NOS/c1-20(2)17-12-10-16(11-13-17)19(21,18-9-6-14-22-18)15-7-4-3-5-8-15/h3-14,21H,1-2H3
InChIKeyDXYPVXPJDCKZQI-UHFFFAOYSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol
CID 15868831
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol
CID 11036914
[4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol
CID 11340199
(1R)-1-phenyl-1-thiophen-2-ylethanol
CID 674763
bis[4-(dimethylamino)phenyl]-(4-methylphenyl)methanol
CID 3639181
bis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol
CID 66561126
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol
CID 101076305
(1S)-4-methyl-1-phenyl-1-thiophen-2-ylpent-2-yne-1,4-diol
CID 751171
2-[dichloro(phenyl)methyl]thiophene
CID 12792430
2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene
CID 139749250
bis[bis[4-(dimethylamino)phenyl]-phenylmethyl] oxalate
CID 139713541
N,N-dimethylaniline;methanol
CID 143205399

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol?
The IUPAC name of [4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol (CID 14324031) is [4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol.
What is the SMILES notation for [4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol?
The canonical SMILES for [4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol is CN(C)c1ccc(C(O)(c2ccccc2)c2cccs2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol?
The InChIKey is DXYPVXPJDCKZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS/c1-20(2)17-12-10-16(11-13-17)19(21,18-9-6-14-22-18)15-7-4-3-5-8-15/h3-14,21H,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol?
[4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol has a molecular weight of 309.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol is sourced from PubChem (CID 14324031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).