1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine

C14H15F2NS — CID 43154231

IUPAC1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccc(-c2cc(F)cc(F)c2)s1
InChIInChI=1S/C14H15F2NS/c1-8(2)14(17)13-4-3-12(18-13)9-5-10(15)7-11(16)6-9/h3-8,14H,17H2,1-2H3
InChIKeyJHIGVIKFZLLNNS-UHFFFAOYSA-N
MW267.34 g/mol
LogP4.35
Rot. Bonds3

About 1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine

1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine (PubChem CID 43154231) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
PubChem CID43154231
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC Name1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccc(-c2cc(F)cc(F)c2)s1
InChIInChI=1S/C14H15F2NS/c1-8(2)14(17)13-4-3-12(18-13)9-5-10(15)7-11(16)6-9/h3-8,14H,17H2,1-2H3
InChIKeyJHIGVIKFZLLNNS-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154369
1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 107577065
2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43154485
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]thiophen-2-yl]-2-methylpropan-1-amine
CID 65490846
1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154255
1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 114262318
2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine
CID 43331832
1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 114260897
N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine
CID 79049374
2-methyl-1-[5-(2-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43363500
N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 79049605
1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154444

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine (CID 43154231) is 1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine is CC(C)C(N)c1ccc(-c2cc(F)cc(F)c2)s1.
What is the InChIKey of 1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The InChIKey is JHIGVIKFZLLNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-8(2)14(17)13-4-3-12(18-13)9-5-10(15)7-11(16)6-9/h3-8,14H,17H2,1-2H3.
What are the key properties of 1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine?
1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 43154231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).