N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine

C16H22F3N — CID 102756432

IUPACN-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine
SMILESCc1cc(C(F)(F)F)ccc1C1CCC1CNC(C)C
InChIInChI=1S/C16H22F3N/c1-10(2)20-9-12-4-6-15(12)14-7-5-13(8-11(14)3)16(17,18)19/h5,7-8,10,12,15,20H,4,6,9H2,1-3H3
InChIKeyZUHDYSYHKGYNON-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.51
Rot. Bonds4

About N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine

N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine (PubChem CID 102756432) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine
PubChem CID102756432
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine
SMILESCc1cc(C(F)(F)F)ccc1C1CCC1CNC(C)C
InChIInChI=1S/C16H22F3N/c1-10(2)20-9-12-4-6-15(12)14-7-5-13(8-11(14)3)16(17,18)19/h5,7-8,10,12,15,20H,4,6,9H2,1-3H3
InChIKeyZUHDYSYHKGYNON-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81034661
N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017316
N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine
CID 81033561
N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017220
2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 102756353
N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81018045
N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine
CID 107514752
N-[[2-(4-fluoro-2-methylphenyl)-4,4-dimethylcyclohexyl]methyl]propan-2-amine
CID 81022840
2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine
CID 102756361
2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine
CID 102755798
N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 81018163
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 102754125

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine (CID 102756432) is N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine is Cc1cc(C(F)(F)F)ccc1C1CCC1CNC(C)C.
What is the InChIKey of N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine?
The InChIKey is ZUHDYSYHKGYNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-10(2)20-9-12-4-6-15(12)14-7-5-13(8-11(14)3)16(17,18)19/h5,7-8,10,12,15,20H,4,6,9H2,1-3H3.
What are the key properties of N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine?
N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine has a molecular weight of 285.35 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 102756432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).