trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine

C16H15F3N2 — CID 46868842

IUPACtrans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine
SMILESFC(F)(F)c1ccc(CN[C@@H]2C[C@H]2c2ccccc2)nc1
InChIInChI=1S/C16H15F3N2/c17-16(18,19)12-6-7-13(20-9-12)10-21-15-8-14(15)11-4-2-1-3-5-11/h1-7,9,14-15,21H,8,10H2/t14-,15+/m0/s1
InChIKeyLLHIBWXHIPAQHS-LSDHHAIUSA-N
MW292.30 g/mol
LogP3.75
Rot. Bonds4

About trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine

trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine (PubChem CID 46868842) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine
PubChem CID46868842
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Nametrans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine
SMILESFC(F)(F)c1ccc(CN[C@@H]2C[C@H]2c2ccccc2)nc1
InChIInChI=1S/C16H15F3N2/c17-16(18,19)12-6-7-13(20-9-12)10-21-15-8-14(15)11-4-2-1-3-5-11/h1-7,9,14-15,21H,8,10H2/t14-,15+/m0/s1
InChIKeyLLHIBWXHIPAQHS-LSDHHAIUSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine (CID 46868842) is trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine is FC(F)(F)c1ccc(CN[C@@H]2C[C@H]2c2ccccc2)nc1.
What is the InChIKey of trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine?
The InChIKey is LLHIBWXHIPAQHS-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H15F3N2/c17-16(18,19)12-6-7-13(20-9-12)10-21-15-8-14(15)11-4-2-1-3-5-11/h1-7,9,14-15,21H,8,10H2/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine?
trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine has a molecular weight of 292.30 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 46868842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).