N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine

C14H19F2NS — CID 113262761

IUPACN-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCc1c(F)cccc1F
InChIInChI=1S/C14H19F2NS/c1-18-14-8-3-2-7-13(14)17-9-10-11(15)5-4-6-12(10)16/h4-6,13-14,17H,2-3,7-9H2,1H3
InChIKeyIOMVNGVUWIPHBC-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.73
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine

N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine (PubChem CID 113262761) has the molecular formula C14H19F2NS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
PubChem CID113262761
Molecular FormulaC14H19F2NS
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCc1c(F)cccc1F
InChIInChI=1S/C14H19F2NS/c1-18-14-8-3-2-7-13(14)17-9-10-11(15)5-4-6-12(10)16/h4-6,13-14,17H,2-3,7-9H2,1H3
InChIKeyIOMVNGVUWIPHBC-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 106263890
N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103761966
2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 103923196
2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
CID 113243458
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103773733
2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 103701066
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776706
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103793218
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103782069
N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994650
4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 103779434
2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 104917753

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine (CID 113262761) is N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine is CSC1CCCCC1NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is IOMVNGVUWIPHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NS/c1-18-14-8-3-2-7-13(14)17-9-10-11(15)5-4-6-12(10)16/h4-6,13-14,17H,2-3,7-9H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine?
N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 113262761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).