1-(4-cyclopentylsulfanylphenyl)-3-fluoropropan-2-amine

C14H20FNS — CID 129313227

IUPAC1-(4-cyclopentylsulfanylphenyl)-3-fluoropropan-2-amine
SMILESNC(CF)Cc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C14H20FNS/c15-10-12(16)9-11-5-7-14(8-6-11)17-13-3-1-2-4-13/h5-8,12-13H,1-4,9-10,16H2
InChIKeyAVBLXXJRVYIQMG-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-cyclopentylsulfanylphenyl)-3-fluoropropan-2-amine

1-(4-cyclopentylsulfanylphenyl)-3-fluoropropan-2-amine (PubChem CID 129313227) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(4-cyclopentylsulfanylphenyl)-3-fluoropropan-2-amine.

Molecular Properties

Compound Name1-(4-cyclopentylsulfanylphenyl)-3-fluoropropan-2-amine
PubChem CID129313227
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name1-(4-cyclopentylsulfanylphenyl)-3-fluoropropan-2-amine
SMILESNC(CF)Cc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C14H20FNS/c15-10-12(16)9-11-5-7-14(8-6-11)17-13-3-1-2-4-13/h5-8,12-13H,1-4,9-10,16H2
InChIKeyAVBLXXJRVYIQMG-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylsulfanylphenyl)-3-fluoropropan-2-amine?
The IUPAC name of 1-(4-cyclopentylsulfanylphenyl)-3-fluoropropan-2-amine (CID 129313227) is 1-(4-cyclopentylsulfanylphenyl)-3-fluoropropan-2-amine.
What is the SMILES notation for 1-(4-cyclopentylsulfanylphenyl)-3-fluoropropan-2-amine?
The canonical SMILES for 1-(4-cyclopentylsulfanylphenyl)-3-fluoropropan-2-amine is NC(CF)Cc1ccc(SC2CCCC2)cc1.
What is the InChIKey of 1-(4-cyclopentylsulfanylphenyl)-3-fluoropropan-2-amine?
The InChIKey is AVBLXXJRVYIQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c15-10-12(16)9-11-5-7-14(8-6-11)17-13-3-1-2-4-13/h5-8,12-13H,1-4,9-10,16H2.
What are the key properties of 1-(4-cyclopentylsulfanylphenyl)-3-fluoropropan-2-amine?
1-(4-cyclopentylsulfanylphenyl)-3-fluoropropan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylsulfanylphenyl)-3-fluoropropan-2-amine is sourced from PubChem (CID 129313227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).