1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine

C16H19F2NS — CID 115860877

IUPAC1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H19F2NS/c1-3-19-14(9-7-12-5-4-10-20-12)15-13(17)8-6-11(2)16(15)18/h4-6,8,10,14,19H,3,7,9H2,1-2H3
InChIKeyVBIFMTPBZWBZCU-UHFFFAOYSA-N
MW295.40 g/mol
LogP4.62
Rot. Bonds6

About 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine

1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115860877) has the molecular formula C16H19F2NS and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115860877
Molecular FormulaC16H19F2NS
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H19F2NS/c1-3-19-14(9-7-12-5-4-10-20-12)15-13(17)8-6-11(2)16(15)18/h4-6,8,10,14,19H,3,7,9H2,1-2H3
InChIKeyVBIFMTPBZWBZCU-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
CID 82823122
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 82822293
N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63775928
1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860979
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860982
N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine
CID 63773695
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105175820
N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 115860753
N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 105119949
1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 63775555
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860919

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine (CID 115860877) is 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is VBIFMTPBZWBZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NS/c1-3-19-14(9-7-12-5-4-10-20-12)15-13(17)8-6-11(2)16(15)18/h4-6,8,10,14,19H,3,7,9H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115860877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).