N-octyl-4-(trifluoromethyl)pyridin-2-amine

C14H21F3N2 — CID 115568897

IUPACN-octyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCCCCNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C14H21F3N2/c1-2-3-4-5-6-7-9-18-13-11-12(8-10-19-13)14(15,16)17/h8,10-11H,2-7,9H2,1H3,(H,18,19)
InChIKeyFQGLRPWXKRHPAJ-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.87
Rot. Bonds8

About N-octyl-4-(trifluoromethyl)pyridin-2-amine

N-octyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 115568897) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-octyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-octyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID115568897
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN-octyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCCCCNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C14H21F3N2/c1-2-3-4-5-6-7-9-18-13-11-12(8-10-19-13)14(15,16)17/h8,10-11H,2-7,9H2,1H3,(H,18,19)
InChIKeyFQGLRPWXKRHPAJ-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.87
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

N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
N-octyl-3-(trifluoromethyl)aniline
CID 43129188
N-heptyl-3-(trifluoromethyl)aniline
CID 4711840
2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine
CID 114151133
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
N-hexyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720771
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330850
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-pentylpyrimidine-2,4-diamine
CID 112900400
N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 114943044

Frequently Asked Questions

What is the IUPAC name of N-octyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-octyl-4-(trifluoromethyl)pyridin-2-amine (CID 115568897) is N-octyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-octyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-octyl-4-(trifluoromethyl)pyridin-2-amine is CCCCCCCCNc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-octyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FQGLRPWXKRHPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-2-3-4-5-6-7-9-18-13-11-12(8-10-19-13)14(15,16)17/h8,10-11H,2-7,9H2,1H3,(H,18,19).
What are the key properties of N-octyl-4-(trifluoromethyl)pyridin-2-amine?
N-octyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 274.33 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115568897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).