1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine

C13H15F4NS — CID 107267548

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
SMILESCSC1(CNCc2ccc(F)cc2C(F)(F)F)CC1
InChIInChI=1S/C13H15F4NS/c1-19-12(4-5-12)8-18-7-9-2-3-10(14)6-11(9)13(15,16)17/h2-3,6,18H,4-5,7-8H2,1H3
InChIKeyCOAFGLILRYLRII-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.83
Rot. Bonds5

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine

1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine (PubChem CID 107267548) has the molecular formula C13H15F4NS and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
PubChem CID107267548
Molecular FormulaC13H15F4NS
Molecular Weight293.33 g/mol
Exact Mass293.09
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
SMILESCSC1(CNCc2ccc(F)cc2C(F)(F)F)CC1
InChIInChI=1S/C13H15F4NS/c1-19-12(4-5-12)8-18-7-9-2-3-10(14)6-11(9)13(15,16)17/h2-3,6,18H,4-5,7-8H2,1H3
InChIKeyCOAFGLILRYLRII-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267608
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 78927299
3-fluoro-4-[[(1-methylsulfanylcyclopropyl)methylamino]methyl]benzonitrile
CID 107267339
N-[(2-fluorophenyl)methyl]-1-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 112731308
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine
CID 102696977
1-(3-fluoro-4-methylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267370
1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267547
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine
CID 113465470
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 78921861
1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267384
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 78921852
2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 114941536

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine (CID 107267548) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine is CSC1(CNCc2ccc(F)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The InChIKey is COAFGLILRYLRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NS/c1-19-12(4-5-12)8-18-7-9-2-3-10(14)6-11(9)13(15,16)17/h2-3,6,18H,4-5,7-8H2,1H3.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine has a molecular weight of 293.33 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 107267548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).