2-methyl-N-[[2-(2,3,4-trifluorophenyl)cyclobutyl]methyl]propan-2-amine

C15H20F3N — CID 81017464

IUPAC2-methyl-N-[[2-(2,3,4-trifluorophenyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCC1c1ccc(F)c(F)c1F
InChIInChI=1S/C15H20F3N/c1-15(2,3)19-8-9-4-5-10(9)11-6-7-12(16)14(18)13(11)17/h6-7,9-10,19H,4-5,8H2,1-3H3
InChIKeyNXPNECARNUSUEQ-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.99
Rot. Bonds3

About 2-methyl-N-[[2-(2,3,4-trifluorophenyl)cyclobutyl]methyl]propan-2-amine

2-methyl-N-[[2-(2,3,4-trifluorophenyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 81017464) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2,3,4-trifluorophenyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2,3,4-trifluorophenyl)cyclobutyl]methyl]propan-2-amine
PubChem CID81017464
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name2-methyl-N-[[2-(2,3,4-trifluorophenyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCC1c1ccc(F)c(F)c1F
InChIInChI=1S/C15H20F3N/c1-15(2,3)19-8-9-4-5-10(9)11-6-7-12(16)14(18)13(11)17/h6-7,9-10,19H,4-5,8H2,1-3H3
InChIKeyNXPNECARNUSUEQ-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine
CID 81016865
N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022399
[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine
CID 81010497
N-[[2-(4-chloro-2-fluorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024708
N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine
CID 81034120
N-[[2-(4-chloro-2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 81032805
N-[[2-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021961
N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 107290751
N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 106763843
N-[[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81034139
2-methyl-N-[[2-(2,4,5-trimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81023321
1-[4-ethyl-2-(2,3,4-trifluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81031996

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2,3,4-trifluorophenyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2,3,4-trifluorophenyl)cyclobutyl]methyl]propan-2-amine (CID 81017464) is 2-methyl-N-[[2-(2,3,4-trifluorophenyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2,3,4-trifluorophenyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2,3,4-trifluorophenyl)cyclobutyl]methyl]propan-2-amine is CC(C)(C)NCC1CCC1c1ccc(F)c(F)c1F.
What is the InChIKey of 2-methyl-N-[[2-(2,3,4-trifluorophenyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is NXPNECARNUSUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-15(2,3)19-8-9-4-5-10(9)11-6-7-12(16)14(18)13(11)17/h6-7,9-10,19H,4-5,8H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(2,3,4-trifluorophenyl)cyclobutyl]methyl]propan-2-amine?
2-methyl-N-[[2-(2,3,4-trifluorophenyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 271.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2,3,4-trifluorophenyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 81017464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).