1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine

C16H19F2NS — CID 115845113

IUPAC1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine
SMILESCCCNC(Cc1ccsc1)Cc1cccc(F)c1F
InChIInChI=1S/C16H19F2NS/c1-2-7-19-14(9-12-6-8-20-11-12)10-13-4-3-5-15(17)16(13)18/h3-6,8,11,14,19H,2,7,9-10H2,1H3
InChIKeyHWCFNUQZJNCOAN-UHFFFAOYSA-N
MW295.40 g/mol
LogP4.18
Rot. Bonds7

About 1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine

1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 115845113) has the molecular formula C16H19F2NS and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine
PubChem CID115845113
Molecular FormulaC16H19F2NS
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine
SMILESCCCNC(Cc1ccsc1)Cc1cccc(F)c1F
InChIInChI=1S/C16H19F2NS/c1-2-7-19-14(9-12-6-8-20-11-12)10-13-4-3-5-15(17)16(13)18/h3-6,8,11,14,19H,2,7,9-10H2,1H3
InChIKeyHWCFNUQZJNCOAN-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665
N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 55095017
1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 55094101
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105139513
1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66073110
N-propyl-1-thiophen-3-ylpent-4-yn-2-amine
CID 105077426
N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 105120984
N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 105169161
1-(2-fluoro-3-methoxyphenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105180556
1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 62605093
1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864310

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine (CID 115845113) is 1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine is CCCNC(Cc1ccsc1)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is HWCFNUQZJNCOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NS/c1-2-7-19-14(9-12-6-8-20-11-12)10-13-4-3-5-15(17)16(13)18/h3-6,8,11,14,19H,2,7,9-10H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine?
1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 295.40 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 115845113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).