1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine

C14H16FNS — CID 115860775

IUPAC1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine
SMILESCc1ccc(F)c(C(N)CCc2cccs2)c1
InChIInChI=1S/C14H16FNS/c1-10-4-6-13(15)12(9-10)14(16)7-5-11-3-2-8-17-11/h2-4,6,8-9,14H,5,7,16H2,1H3
InChIKeyPDPOWYMEDJBWMF-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.83
Rot. Bonds4

About 1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine

1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 115860775) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID115860775
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine
SMILESCc1ccc(F)c(C(N)CCc2cccs2)c1
InChIInChI=1S/C14H16FNS/c1-10-4-6-13(15)12(9-10)14(16)7-5-11-3-2-8-17-11/h2-4,6,8-9,14H,5,7,16H2,1H3
InChIKeyPDPOWYMEDJBWMF-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol
CID 105094222
1-(3-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774801
[1-(2-fluoro-5-methylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105211767
(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
CID 171204011
1-(2-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63776013
1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 63840233
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
CID 171204045
1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105142448
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 107993297
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171204036
(1S)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171223608
1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150310

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine (CID 115860775) is 1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine is Cc1ccc(F)c(C(N)CCc2cccs2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is PDPOWYMEDJBWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-10-4-6-13(15)12(9-10)14(16)7-5-11-3-2-8-17-11/h2-4,6,8-9,14H,5,7,16H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine?
1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115860775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).