N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine

C16H23F2NS — CID 104755082

IUPACN-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1ccc(F)cc1F)C1CCCC1
InChIInChI=1S/C16H23F2NS/c1-2-9-19-15(12-5-3-4-6-12)11-20-16-8-7-13(17)10-14(16)18/h7-8,10,12,15,19H,2-6,9,11H2,1H3
InChIKeyYUDMHDKEXRSVSL-UHFFFAOYSA-N
MW299.43 g/mol
LogP4.62
Rot. Bonds7

About N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine

N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine (PubChem CID 104755082) has the molecular formula C16H23F2NS and a molecular weight of 299.43 g/mol. Its IUPAC name is N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine
PubChem CID104755082
Molecular FormulaC16H23F2NS
Molecular Weight299.43 g/mol
Exact Mass299.15
IUPAC NameN-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1ccc(F)cc1F)C1CCCC1
InChIInChI=1S/C16H23F2NS/c1-2-9-19-15(12-5-3-4-6-12)11-20-16-8-7-13(17)10-14(16)18/h7-8,10,12,15,19H,2-6,9,11H2,1H3
InChIKeyYUDMHDKEXRSVSL-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine
CID 104748323
N-[1-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755214
N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066013
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553
N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
CID 65399267
N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755864
N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659
N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496319
N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
CID 63906071
N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
CID 66160027
N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine
CID 104755834
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine (CID 104755082) is N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine is CCCNC(CSc1ccc(F)cc1F)C1CCCC1.
What is the InChIKey of N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine?
The InChIKey is YUDMHDKEXRSVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NS/c1-2-9-19-15(12-5-3-4-6-12)11-20-16-8-7-13(17)10-14(16)18/h7-8,10,12,15,19H,2-6,9,11H2,1H3.
What are the key properties of N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine?
N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine has a molecular weight of 299.43 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine is sourced from PubChem (CID 104755082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).