2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol

C14H16FNOS — CID 61054387

IUPAC2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol
SMILESCC(CO)(NCc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C14H16FNOS/c1-14(10-17,11-4-6-12(15)7-5-11)16-9-13-3-2-8-18-13/h2-8,16-17H,9-10H2,1H3
InChIKeyUCYNCSOMVWGLPX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.88
Rot. Bonds5

About 2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol

2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol (PubChem CID 61054387) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol
PubChem CID61054387
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol
SMILESCC(CO)(NCc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C14H16FNOS/c1-14(10-17,11-4-6-12(15)7-5-11)16-9-13-3-2-8-18-13/h2-8,16-17H,9-10H2,1H3
InChIKeyUCYNCSOMVWGLPX-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 61055796
2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride
CID 53347623
2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 60991456
2-methyl-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 55149935
2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
CID 113237010
4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol
CID 61054800
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 54889525
2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 4722843
2-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 60991594
1-(4-fluorophenyl)-2-methyl-3-thiophen-2-ylpropan-2-ol
CID 114833192
2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
CID 115742081

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol?
The IUPAC name of 2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol (CID 61054387) is 2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol is CC(CO)(NCc1cccs1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol?
The InChIKey is UCYNCSOMVWGLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-14(10-17,11-4-6-12(15)7-5-11)16-9-13-3-2-8-18-13/h2-8,16-17H,9-10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol?
2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 61054387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).