3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine

C19H21F3N2O — CID 141060072

IUPAC3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
SMILESFC(F)(F)c1cccc(CNC2CCCC(Oc3ccccc3)C2)n1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)18-11-5-7-15(24-18)13-23-14-6-4-10-17(12-14)25-16-8-2-1-3-9-16/h1-3,5,7-9,11,14,17,23H,4,6,10,12-13H2
InChIKeyCDRBKBGMQSBBJX-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.58
Rot. Bonds5

About 3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine

3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine (PubChem CID 141060072) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
PubChem CID141060072
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
SMILESFC(F)(F)c1cccc(CNC2CCCC(Oc3ccccc3)C2)n1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)18-11-5-7-15(24-18)13-23-14-6-4-10-17(12-14)25-16-8-2-1-3-9-16/h1-3,5,7-9,11,14,17,23H,4,6,10,12-13H2
InChIKeyCDRBKBGMQSBBJX-UHFFFAOYSA-N
XLogP4.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106908050
N-methyl-3-phenoxycyclohexan-1-amine
CID 79618884
N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine
CID 62287510
2-(cyclobutylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol
CID 170592925
N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine
CID 141342009
N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]formamide
CID 144611139
3-(3-ethoxyphenoxy)-N-ethylcyclohexan-1-amine
CID 79618027
N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908030
N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133308848
3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
CID 106894953
N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486
N-[[6-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908345

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The IUPAC name of 3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine (CID 141060072) is 3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine is FC(F)(F)c1cccc(CNC2CCCC(Oc3ccccc3)C2)n1.
What is the InChIKey of 3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The InChIKey is CDRBKBGMQSBBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c20-19(21,22)18-11-5-7-15(24-18)13-23-14-6-4-10-17(12-14)25-16-8-2-1-3-9-16/h1-3,5,7-9,11,14,17,23H,4,6,10,12-13H2.
What are the key properties of 3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine has a molecular weight of 350.38 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 141060072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).