3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine

C14H18ClF3N2O — CID 61063880

IUPAC3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCCOC2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H18ClF3N2O/c15-12-8-10(14(16,17)18)9-20-13(12)19-6-7-21-11-4-2-1-3-5-11/h8-9,11H,1-7H2,(H,19,20)
InChIKeyBZYHTQBOSGJOJF-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.51
Rot. Bonds5

About 3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 61063880) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is 3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID61063880
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCCOC2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H18ClF3N2O/c15-12-8-10(14(16,17)18)9-20-13(12)19-6-7-21-11-4-2-1-3-5-11/h8-9,11H,1-7H2,(H,19,20)
InChIKeyBZYHTQBOSGJOJF-UHFFFAOYSA-N
XLogP4.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine
CID 55261073
3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106012866
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate
CID 83204495
3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine
CID 107320716
N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 115569610
3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 106126082
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine
CID 63869864
cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine
CID 93453945
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
N'-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 158421332
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]formamide
CID 145422813
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropylethane-1,2-diamine
CID 63760239

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 61063880) is 3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCCOC2CCCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BZYHTQBOSGJOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O/c15-12-8-10(14(16,17)18)9-20-13(12)19-6-7-21-11-4-2-1-3-5-11/h8-9,11H,1-7H2,(H,19,20).
What are the key properties of 3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 322.76 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 61063880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).