2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine

C13H16F3N — CID 103700221

IUPAC2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
SMILESCC(C)(NCc1cc(F)c(F)c(F)c1)C1CC1
InChIInChI=1S/C13H16F3N/c1-13(2,9-3-4-9)17-7-8-5-10(14)12(16)11(15)6-8/h5-6,9,17H,3-4,7H2,1-2H3
InChIKeyAIQQVYCQMHEKHX-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.38
Rot. Bonds4

About 2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine

2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine (PubChem CID 103700221) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
PubChem CID103700221
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
SMILESCC(C)(NCc1cc(F)c(F)c(F)c1)C1CC1
InChIInChI=1S/C13H16F3N/c1-13(2,9-3-4-9)17-7-8-5-10(14)12(16)11(15)6-8/h5-6,9,17H,3-4,7H2,1-2H3
InChIKeyAIQQVYCQMHEKHX-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.38
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-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine
CID 103700181
N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
CID 103773729
2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine
CID 103700185
2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051342
N-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
CID 103845100
2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine
CID 103700276
2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine
CID 103700096
2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol
CID 63050676
2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine
CID 107470447
2-cyclobutyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 115690076
2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine
CID 103700140
2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol
CID 103700269

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine?
The IUPAC name of 2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine (CID 103700221) is 2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine is CC(C)(NCc1cc(F)c(F)c(F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine?
The InChIKey is AIQQVYCQMHEKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-13(2,9-3-4-9)17-7-8-5-10(14)12(16)11(15)6-8/h5-6,9,17H,3-4,7H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine?
2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine has a molecular weight of 243.27 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 103700221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).