(1S)-2-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine

C16H15F3N2 — CID 68575241

IUPAC(1S)-2-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine
SMILESFC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)cn1
InChIInChI=1S/C16H15F3N2/c17-16(18,19)15-7-6-11(10-21-15)9-20-14-8-13(14)12-4-2-1-3-5-12/h1-7,10,13-14,20H,8-9H2/t13?,14-/m0/s1
InChIKeyZJWCJOPRRMOEJZ-KZUDCZAMSA-N
MW292.30 g/mol
LogP3.75
Rot. Bonds4

About (1S)-2-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine

(1S)-2-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine (PubChem CID 68575241) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is (1S)-2-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-2-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine
PubChem CID68575241
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name(1S)-2-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine
SMILESFC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)cn1
InChIInChI=1S/C16H15F3N2/c17-16(18,19)15-7-6-11(10-21-15)9-20-14-8-13(14)12-4-2-1-3-5-12/h1-7,10,13-14,20H,8-9H2/t13?,14-/m0/s1
InChIKeyZJWCJOPRRMOEJZ-KZUDCZAMSA-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 (1S)-2-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine?
The IUPAC name of (1S)-2-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine (CID 68575241) is (1S)-2-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for (1S)-2-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine?
The canonical SMILES for (1S)-2-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine is FC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)cn1.
What is the InChIKey of (1S)-2-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine?
The InChIKey is ZJWCJOPRRMOEJZ-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H15F3N2/c17-16(18,19)15-7-6-11(10-21-15)9-20-14-8-13(14)12-4-2-1-3-5-12/h1-7,10,13-14,20H,8-9H2/t13?,14-/m0/s1.
What are the key properties of (1S)-2-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine?
(1S)-2-phenyl-N-[[6-(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 (1S)-2-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 68575241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).