trans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine

C16H15F3N2 — CID 53373930

IUPACtrans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine
SMILESFC(F)(F)c1ccncc1CN[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C16H15F3N2/c17-16(18,19)14-6-7-20-9-12(14)10-21-15-8-13(15)11-4-2-1-3-5-11/h1-7,9,13,15,21H,8,10H2/t13-,15+/m0/s1
InChIKeyMDEIPZAPSPGRFP-DZGCQCFKSA-N
MW292.30 g/mol
LogP3.75
Rot. Bonds4

About trans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine

trans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine (PubChem CID 53373930) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is trans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine
PubChem CID53373930
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Nametrans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine
SMILESFC(F)(F)c1ccncc1CN[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C16H15F3N2/c17-16(18,19)14-6-7-20-9-12(14)10-21-15-8-13(15)11-4-2-1-3-5-11/h1-7,9,13,15,21H,8,10H2/t13-,15+/m0/s1
InChIKeyMDEIPZAPSPGRFP-DZGCQCFKSA-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-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine (CID 53373930) is trans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine is FC(F)(F)c1ccncc1CN[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine?
The InChIKey is MDEIPZAPSPGRFP-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H15F3N2/c17-16(18,19)14-6-7-20-9-12(14)10-21-15-8-13(15)11-4-2-1-3-5-11/h1-7,9,13,15,21H,8,10H2/t13-,15+/m0/s1.
What are the key properties of trans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine?
trans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-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-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 53373930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).