2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine

C11H12F3N — CID 63050226

IUPAC2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
SMILESCC1CC1NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H12F3N/c1-6-2-10(6)15-5-7-3-8(12)11(14)9(13)4-7/h3-4,6,10,15H,2,5H2,1H3
InChIKeyRBIIDNKJWAFMSL-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.60
Rot. Bonds3

About 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine

2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine (PubChem CID 63050226) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
PubChem CID63050226
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
SMILESCC1CC1NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H12F3N/c1-6-2-10(6)15-5-7-3-8(12)11(14)9(13)4-7/h3-4,6,10,15H,2,5H2,1H3
InChIKeyRBIIDNKJWAFMSL-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.60
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

2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 64907785
N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62396100
N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397492
tert-butyl N-[2-[(3,4,5-trifluorophenyl)methylamino]cyclopropyl]carbamate
CID 107238083
N-[(3,4,5-trifluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602479
trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 131008593
2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline
CID 82840616
2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine
CID 63052233
2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline
CID 62408815
N-[(3,4,5-trifluorophenyl)methyl]thiohydroxylamine
CID 155699615
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 112652013
N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine
CID 115968089

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine (CID 63050226) is 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine is CC1CC1NCc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine?
The InChIKey is RBIIDNKJWAFMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c1-6-2-10(6)15-5-7-3-8(12)11(14)9(13)4-7/h3-4,6,10,15H,2,5H2,1H3.
What are the key properties of 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine?
2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine has a molecular weight of 215.22 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 63050226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).