N-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C16H15F3N2 — CID 106209971

IUPACN-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NC(c2ccccc2)c2ccccn2)CC1
InChIInChI=1S/C16H15F3N2/c17-16(18,19)15(9-10-15)21-14(12-6-2-1-3-7-12)13-8-4-5-11-20-13/h1-8,11,14,21H,9-10H2
InChIKeyQWSKOVFBULQBBH-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.86
Rot. Bonds4

About N-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106209971) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106209971
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC NameN-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NC(c2ccccc2)c2ccccn2)CC1
InChIInChI=1S/C16H15F3N2/c17-16(18,19)15(9-10-15)21-14(12-6-2-1-3-7-12)13-8-4-5-11-20-13/h1-8,11,14,21H,9-10H2
InChIKeyQWSKOVFBULQBBH-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine
CID 79090024
4,4,4-trifluoro-N-[phenyl(pyridin-2-yl)methyl]butan-1-amine
CID 115516236
N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 103949345
N-[phenyl(pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44765282
3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 25357011
N-[(2,2-dimethylcyclopropyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 103949198
2-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 60921142
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 80726511
3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405539
(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405569

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106209971) is N-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is FC(F)(F)C1(NC(c2ccccc2)c2ccccn2)CC1.
What is the InChIKey of N-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is QWSKOVFBULQBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c17-16(18,19)15(9-10-15)21-14(12-6-2-1-3-7-12)13-8-4-5-11-20-13/h1-8,11,14,21H,9-10H2.
What are the key properties of N-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 292.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106209971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).