2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol

C14H16FNOS — CID 103943964

IUPAC2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol
SMILESCc1ccc(F)cc1CNCC(O)c1ccsc1
InChIInChI=1S/C14H16FNOS/c1-10-2-3-13(15)6-12(10)7-16-8-14(17)11-4-5-18-9-11/h2-6,9,14,16-17H,7-8H2,1H3
InChIKeyIVRABCRXVHTFPU-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.02
Rot. Bonds5

About 2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol

2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol (PubChem CID 103943964) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol
PubChem CID103943964
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol
SMILESCc1ccc(F)cc1CNCC(O)c1ccsc1
InChIInChI=1S/C14H16FNOS/c1-10-2-3-13(15)6-12(10)7-16-8-14(17)11-4-5-18-9-11/h2-6,9,14,16-17H,7-8H2,1H3
InChIKeyIVRABCRXVHTFPU-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol
CID 113334906
2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]-4-methylphenol
CID 103685227
2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103845086
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol
CID 103823528
2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
CID 106435161
2-[2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]phenyl]acetic acid
CID 106435361
3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide
CID 106171518
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol (CID 103943964) is 2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol is Cc1ccc(F)cc1CNCC(O)c1ccsc1.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol?
The InChIKey is IVRABCRXVHTFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-10-2-3-13(15)6-12(10)7-16-8-14(17)11-4-5-18-9-11/h2-6,9,14,16-17H,7-8H2,1H3.
What are the key properties of 2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol?
2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol has a molecular weight of 265.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103943964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).