2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine

C14H18F3NS — CID 103701066

IUPAC2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
SMILESCSC1CCCC1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NS/c1-19-13-7-3-6-12(13)18-9-10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8,12-13,18H,3,6-7,9H2,1H3
InChIKeyMNKMNSUCRAYBAG-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.08
Rot. Bonds4

About 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine

2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine (PubChem CID 103701066) has the molecular formula C14H18F3NS and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
PubChem CID103701066
Molecular FormulaC14H18F3NS
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC Name2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
SMILESCSC1CCCC1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NS/c1-19-13-7-3-6-12(13)18-9-10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8,12-13,18H,3,6-7,9H2,1H3
InChIKeyMNKMNSUCRAYBAG-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931
2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43434076
N-[(3,4-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701214
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103773733
(2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 67819925
2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 19012951
2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
CID 113243458
2,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 79865086
N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 113262761
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 61462002

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine (CID 103701066) is 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine is CSC1CCCC1NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine?
The InChIKey is MNKMNSUCRAYBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NS/c1-19-13-7-3-6-12(13)18-9-10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8,12-13,18H,3,6-7,9H2,1H3.
What are the key properties of 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine?
2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 103701066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).