1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine

C14H19F2NS — CID 114115671

IUPAC1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
SMILESCSC1(CNCc2cccc(C(F)F)c2)CCC1
InChIInChI=1S/C14H19F2NS/c1-18-14(6-3-7-14)10-17-9-11-4-2-5-12(8-11)13(15)16/h2,4-5,8,13,17H,3,6-7,9-10H2,1H3
InChIKeyLZVGLLUBIIHAKT-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.00
Rot. Bonds6

About 1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine

1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine (PubChem CID 114115671) has the molecular formula C14H19F2NS and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
PubChem CID114115671
Molecular FormulaC14H19F2NS
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
SMILESCSC1(CNCc2cccc(C(F)F)c2)CCC1
InChIInChI=1S/C14H19F2NS/c1-18-14(6-3-7-14)10-17-9-11-4-2-5-12(8-11)13(15)16/h2,4-5,8,13,17H,3,6-7,9-10H2,1H3
InChIKeyLZVGLLUBIIHAKT-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266984
N-[(1-methylsulfanylcyclobutyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 107267060
1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267608
N-[[3-(difluoromethyl)phenyl]methyl]prop-2-yn-1-amine
CID 115525876
1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115868
1-(3-fluoro-4-methylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267370
1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
CID 113328694
1-[4-(methoxymethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107267089
4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 113328709
2-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenol
CID 107267118
N-[[3-(difluoromethyl)phenyl]methyl]prop-2-en-1-amine
CID 115525877

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine (CID 114115671) is 1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine is CSC1(CNCc2cccc(C(F)F)c2)CCC1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The InChIKey is LZVGLLUBIIHAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NS/c1-18-14(6-3-7-14)10-17-9-11-4-2-5-12(8-11)13(15)16/h2,4-5,8,13,17H,3,6-7,9-10H2,1H3.
What are the key properties of 1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine has a molecular weight of 271.38 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine is sourced from PubChem (CID 114115671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).