1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine

C17H22FNS — CID 63400689

IUPAC1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2ccc(F)c(C)c2)s1
InChIInChI=1S/C17H22FNS/c1-4-10-19-15(5-2)17-9-8-16(20-17)13-6-7-14(18)12(3)11-13/h6-9,11,15,19H,4-5,10H2,1-3H3
InChIKeyFALNNGHZOTYUIQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.31
Rot. Bonds6

About 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine

1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine (PubChem CID 63400689) has the molecular formula C17H22FNS and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
PubChem CID63400689
Molecular FormulaC17H22FNS
Molecular Weight291.44 g/mol
Exact Mass291.15
IUPAC Name1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2ccc(F)c(C)c2)s1
InChIInChI=1S/C17H22FNS/c1-4-10-19-15(5-2)17-9-8-16(20-17)13-6-7-14(18)12(3)11-13/h6-9,11,15,19H,4-5,10H2,1-3H3
InChIKeyFALNNGHZOTYUIQ-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287473
N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine
CID 63400645
1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 63400821
1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43288036
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 107586228
1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287611
1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 103586914
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958
1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43438630
1-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43288186
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287928
1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 62813412

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine (CID 63400689) is 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(-c2ccc(F)c(C)c2)s1.
What is the InChIKey of 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine?
The InChIKey is FALNNGHZOTYUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNS/c1-4-10-19-15(5-2)17-9-8-16(20-17)13-6-7-14(18)12(3)11-13/h6-9,11,15,19H,4-5,10H2,1-3H3.
What are the key properties of 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine?
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 63400689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).