1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one

C16H18FNOS — CID 62052645

IUPAC1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1)N(C)C(C)c1cccs1
InChIInChI=1S/C16H18FNOS/c1-11(15-5-4-10-20-15)18(3)12(2)16(19)13-6-8-14(17)9-7-13/h4-12H,1-3H3
InChIKeyKAXIBFUXIHHJSX-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.15
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one

1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one (PubChem CID 62052645) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one
PubChem CID62052645
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1)N(C)C(C)c1cccs1
InChIInChI=1S/C16H18FNOS/c1-11(15-5-4-10-20-15)18(3)12(2)16(19)13-6-8-14(17)9-7-13/h4-12H,1-3H3
InChIKeyKAXIBFUXIHHJSX-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637
4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
CID 64696669
4,4,4-trifluoro-3-[methyl(1-thiophen-2-ylethyl)amino]butanoic acid
CID 63068842
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
2-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 63110194
N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 107025969
4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
CID 62214541
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
3-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropanoic acid
CID 63068841
4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
CID 42926219
N-methyl-N-[(1S)-1-thiophen-2-ylethyl]-2H-benzotriazole-5-carboxamide
CID 31620123

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one (CID 62052645) is 1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one is CC(C(=O)c1ccc(F)cc1)N(C)C(C)c1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one?
The InChIKey is KAXIBFUXIHHJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-11(15-5-4-10-20-15)18(3)12(2)16(19)13-6-8-14(17)9-7-13/h4-12H,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one?
1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one has a molecular weight of 291.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one is sourced from PubChem (CID 62052645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).