3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine

C14H20ClF3N2 — CID 63540407

IUPAC3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCCC(C)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H20ClF3N2/c1-3-4-5-6-7-10(2)20-13-12(15)8-11(9-19-13)14(16,17)18/h8-10H,3-7H2,1-2H3,(H,19,20)
InChIKeyUQVCCLHEOKIEFQ-UHFFFAOYSA-N
MW308.78 g/mol
LogP5.52
Rot. Bonds7

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

3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 63540407) has the molecular formula C14H20ClF3N2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID63540407
Molecular FormulaC14H20ClF3N2
Molecular Weight308.78 g/mol
Exact Mass308.13
IUPAC Name3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCCC(C)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H20ClF3N2/c1-3-4-5-6-7-10(2)20-13-12(15)8-11(9-19-13)14(16,17)18/h8-10H,3-7H2,1-2H3,(H,19,20)
InChIKeyUQVCCLHEOKIEFQ-UHFFFAOYSA-N
XLogP5.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.78
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 83180248
3-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43080874
5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid
CID 55224530
3-chloro-N-(3-ethylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63838693
3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63541959
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 113240572
N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 114382946
3-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 106354539
2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpentane-1,2-diamine
CID 63759985
3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine
CID 170266507
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline
CID 66480732

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine (CID 63540407) is 3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine is CCCCCCC(C)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UQVCCLHEOKIEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF3N2/c1-3-4-5-6-7-10(2)20-13-12(15)8-11(9-19-13)14(16,17)18/h8-10H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 308.78 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 63540407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).