N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine

C16H24FNS — CID 63813322

IUPACN-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(F)ccc1SC1CCCC1
InChIInChI=1S/C16H24FNS/c1-12(2)10-18-11-13-9-14(17)7-8-16(13)19-15-5-3-4-6-15/h7-9,12,15,18H,3-6,10-11H2,1-2H3
InChIKeyDCJPOEXHANQPGB-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.61
Rot. Bonds6

About N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine

N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine (PubChem CID 63813322) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine
PubChem CID63813322
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC NameN-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(F)ccc1SC1CCCC1
InChIInChI=1S/C16H24FNS/c1-12(2)10-18-11-13-9-14(17)7-8-16(13)19-15-5-3-4-6-15/h7-9,12,15,18H,3-6,10-11H2,1-2H3
InChIKeyDCJPOEXHANQPGB-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine
CID 63808583
N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63814069
N-[[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methyl]propan-1-amine
CID 63814240
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
(1R)-1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanol
CID 63835814
1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine
CID 63820015
N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63550591
N-[(2-benzylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63806799
N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine
CID 114055413
N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 115926878
1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine
CID 63114870
N-[[3-fluoro-4-(3-methylcyclohexyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63807774

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine (CID 63813322) is N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(F)ccc1SC1CCCC1.
What is the InChIKey of N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is DCJPOEXHANQPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-12(2)10-18-11-13-9-14(17)7-8-16(13)19-15-5-3-4-6-15/h7-9,12,15,18H,3-6,10-11H2,1-2H3.
What are the key properties of N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine?
N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63813322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).