1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine

C13H16F3N — CID 115765833

IUPAC1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine
SMILESCC1(NCc2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C13H16F3N/c1-12(6-3-7-12)17-9-10-4-2-5-11(8-10)13(14,15)16/h2,4-5,8,17H,3,6-7,9H2,1H3
InChIKeyHFDZZUHUMBSZGQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.74
Rot. Bonds3

About 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine

1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine (PubChem CID 115765833) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine
PubChem CID115765833
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine
SMILESCC1(NCc2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C13H16F3N/c1-12(6-3-7-12)17-9-10-4-2-5-11(8-10)13(14,15)16/h2,4-5,8,17H,3,6-7,9H2,1H3
InChIKeyHFDZZUHUMBSZGQ-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine
CID 115758041
1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 106209964
3-[[(1-methylcyclobutyl)amino]methyl]benzoic acid
CID 103264825
N-[(1-methylsulfanylcyclobutyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 107267060
2,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 79865086
N-benzyl-4-fluoro-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine
CID 67054701
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 115635136
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol
CID 115978825
N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765892

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine (CID 115765833) is 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine is CC1(NCc2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine?
The InChIKey is HFDZZUHUMBSZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-12(6-3-7-12)17-9-10-4-2-5-11(8-10)13(14,15)16/h2,4-5,8,17H,3,6-7,9H2,1H3.
What are the key properties of 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine?
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine has a molecular weight of 243.27 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115765833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).