3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide

C16H19FN2OS — CID 61104199

IUPAC3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C16H19FN2OS/c1-19(2)16(20)7-8-18-11-12-5-6-14(17)13(10-12)15-4-3-9-21-15/h3-6,9-10,18H,7-8,11H2,1-2H3
InChIKeyHIAXSZDZSWZBQH-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.12
Rot. Bonds6

About 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide

3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide (PubChem CID 61104199) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide
PubChem CID61104199
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC Name3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C16H19FN2OS/c1-19(2)16(20)7-8-18-11-12-5-6-14(17)13(10-12)15-4-3-9-21-15/h3-6,9-10,18H,7-8,11H2,1-2H3
InChIKeyHIAXSZDZSWZBQH-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide
CID 61103230
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 61104385
ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate
CID 61103810
2-ethylsulfinyl-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine
CID 115627155
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 61058996
N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 82709130
2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine
CID 106169126
3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide
CID 60926375
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 71890514
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656201
methyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-2-methylpropanoate
CID 61103428
1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 61060963

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide (CID 61104199) is 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNCc1ccc(F)c(-c2cccs2)c1.
What is the InChIKey of 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is HIAXSZDZSWZBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-19(2)16(20)7-8-18-11-12-5-6-14(17)13(10-12)15-4-3-9-21-15/h3-6,9-10,18H,7-8,11H2,1-2H3.
What are the key properties of 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide?
3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 61104199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).