[4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol

C13H13ClFNOS — CID 61442535

IUPAC[4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
SMILESCN(Cc1ccc(Cl)s1)c1ccc(CO)cc1F
InChIInChI=1S/C13H13ClFNOS/c1-16(7-10-3-5-13(14)18-10)12-4-2-9(8-17)6-11(12)15/h2-6,17H,7-8H2,1H3
InChIKeyUWXFKHXMPURJTO-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.67
Rot. Bonds4

About [4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol

[4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol (PubChem CID 61442535) has the molecular formula C13H13ClFNOS and a molecular weight of 285.77 g/mol. Its IUPAC name is [4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
PubChem CID61442535
Molecular FormulaC13H13ClFNOS
Molecular Weight285.77 g/mol
Exact Mass285.04
IUPAC Name[4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
SMILESCN(Cc1ccc(Cl)s1)c1ccc(CO)cc1F
InChIInChI=1S/C13H13ClFNOS/c1-16(7-10-3-5-13(14)18-10)12-4-2-9(8-17)6-11(12)15/h2-6,17H,7-8H2,1H3
InChIKeyUWXFKHXMPURJTO-UHFFFAOYSA-N
XLogP3.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]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

[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol
CID 61417217
(1R)-1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluorophenyl]ethanol
CID 78940158
[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
CID 43271461
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-2,3-difluorobenzenecarbothioamide
CID 107934643
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 61438246
[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol
CID 60984491
2-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethylaniline
CID 114054620
5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
CID 62494096
5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide
CID 61438183
4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoic acid
CID 82786044
4-(chloromethyl)-2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527733
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 61438708

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol?
The IUPAC name of [4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol (CID 61442535) is [4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol is CN(Cc1ccc(Cl)s1)c1ccc(CO)cc1F.
What is the InChIKey of [4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol?
The InChIKey is UWXFKHXMPURJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNOS/c1-16(7-10-3-5-13(14)18-10)12-4-2-9(8-17)6-11(12)15/h2-6,17H,7-8H2,1H3.
What are the key properties of [4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol?
[4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol has a molecular weight of 285.77 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol is sourced from PubChem (CID 61442535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).