N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine

C16H24FNS — CID 63814069

IUPACN-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(SC2CCCC2)c(F)c1
InChIInChI=1S/C16H24FNS/c1-12(2)10-18-11-13-7-8-16(15(17)9-13)19-14-5-3-4-6-14/h7-9,12,14,18H,3-6,10-11H2,1-2H3
InChIKeyUWYTXDXKDGDPGF-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.61
Rot. Bonds6

About N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine

N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine (PubChem CID 63814069) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine
PubChem CID63814069
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC NameN-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(SC2CCCC2)c(F)c1
InChIInChI=1S/C16H24FNS/c1-12(2)10-18-11-13-7-8-16(15(17)9-13)19-14-5-3-4-6-14/h7-9,12,14,18H,3-6,10-11H2,1-2H3
InChIKeyUWYTXDXKDGDPGF-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-[[3-fluoro-4-(3-methylcyclohexyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63807774
N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63813322
N-[[3-fluoro-4-(3-methylcyclohexyl)sulfanylphenyl]methyl]propan-1-amine
CID 63808662
N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63809916
N-[[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 79332857
3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenyl]sulfanylpropane-1,2-diol
CID 79671989
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
CID 107455700
N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63071120
N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63058827
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565
N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine
CID 63808583

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine (CID 63814069) is N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(SC2CCCC2)c(F)c1.
What is the InChIKey of N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is UWYTXDXKDGDPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-12(2)10-18-11-13-7-8-16(15(17)9-13)19-14-5-3-4-6-14/h7-9,12,14,18H,3-6,10-11H2,1-2H3.
What are the key properties of N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine?
N-[(4-cyclopentylsulfanyl-3-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-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63814069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).