2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol

C13H13ClFNOS — CID 113334906

IUPAC2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol
SMILESOC(CNCc1cc(Cl)ccc1F)c1ccsc1
InChIInChI=1S/C13H13ClFNOS/c14-11-1-2-12(15)10(5-11)6-16-7-13(17)9-3-4-18-8-9/h1-5,8,13,16-17H,6-7H2
InChIKeyVDUOQLIIFSSYIP-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.36
Rot. Bonds5

About 2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol

2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol (PubChem CID 113334906) has the molecular formula C13H13ClFNOS and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol
PubChem CID113334906
Molecular FormulaC13H13ClFNOS
Molecular Weight285.77 g/mol
Exact Mass285.04
IUPAC Name2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol
SMILESOC(CNCc1cc(Cl)ccc1F)c1ccsc1
InChIInChI=1S/C13H13ClFNOS/c14-11-1-2-12(15)10(5-11)6-16-7-13(17)9-3-4-18-8-9/h1-5,8,13,16-17H,6-7H2
InChIKeyVDUOQLIIFSSYIP-UHFFFAOYSA-N
XLogP3.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103943964
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992
2-fluoro-5-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]benzonitrile
CID 106434833
2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]-4-methylphenol
CID 103685227
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
2-[2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]phenyl]acetic acid
CID 106435361
2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103845086
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol
CID 103823528
1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103845041

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol (CID 113334906) is 2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol is OC(CNCc1cc(Cl)ccc1F)c1ccsc1.
What is the InChIKey of 2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol?
The InChIKey is VDUOQLIIFSSYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNOS/c14-11-1-2-12(15)10(5-11)6-16-7-13(17)9-3-4-18-8-9/h1-5,8,13,16-17H,6-7H2.
What are the key properties of 2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol?
2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol has a molecular weight of 285.77 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 113334906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).