N-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C15H21F3N2O — CID 43748970

IUPACN-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(NC1CCCC(OCC(F)(F)F)C1)c1ccccn1
InChIInChI=1S/C15H21F3N2O/c1-11(14-7-2-3-8-19-14)20-12-5-4-6-13(9-12)21-10-15(16,17)18/h2-3,7-8,11-13,20H,4-6,9-10H2,1H3
InChIKeyKAJNGDIDICEDLV-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.62
Rot. Bonds5

About N-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43748970) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43748970
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(NC1CCCC(OCC(F)(F)F)C1)c1ccccn1
InChIInChI=1S/C15H21F3N2O/c1-11(14-7-2-3-8-19-14)20-12-5-4-6-13(9-12)21-10-15(16,17)18/h2-3,7-8,11-13,20H,4-6,9-10H2,1H3
InChIKeyKAJNGDIDICEDLV-UHFFFAOYSA-N
XLogP3.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45791144
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(3S)-N-[(5-fluoro-2-pyridinyl)methyl]oxan-3-amine
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1,1,1-Trifluoro-3-[(3-propan-2-yloxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol
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CID 55272448

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43748970) is N-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC(NC1CCCC(OCC(F)(F)F)C1)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is KAJNGDIDICEDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11(14-7-2-3-8-19-14)20-12-5-4-6-13(9-12)21-10-15(16,17)18/h2-3,7-8,11-13,20H,4-6,9-10H2,1H3.
What are the key properties of N-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 302.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43748970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).