N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine

C10H12ClF3N2 — CID 66330886

IUPACN-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(Cl)CCNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H12ClF3N2/c1-7(11)2-4-15-9-6-8(3-5-16-9)10(12,13)14/h3,5-7H,2,4H2,1H3,(H,15,16)
InChIKeyXRRQXUYMEFOBPJ-UHFFFAOYSA-N
MW252.67 g/mol
LogP3.53
Rot. Bonds4

About N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine

N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66330886) has the molecular formula C10H12ClF3N2 and a molecular weight of 252.67 g/mol. Its IUPAC name is N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66330886
Molecular FormulaC10H12ClF3N2
Molecular Weight252.67 g/mol
Exact Mass252.06
IUPAC NameN-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(Cl)CCNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H12ClF3N2/c1-7(11)2-4-15-9-6-8(3-5-16-9)10(12,13)14/h3,5-7H,2,4H2,1H3,(H,15,16)
InChIKeyXRRQXUYMEFOBPJ-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115715774
2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine
CID 114151133
N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328524
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 115680860
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115363721
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106117408
N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330850
N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115681101

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine (CID 66330886) is N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine is CC(Cl)CCNc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XRRQXUYMEFOBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2/c1-7(11)2-4-15-9-6-8(3-5-16-9)10(12,13)14/h3,5-7H,2,4H2,1H3,(H,15,16).
What are the key properties of N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine?
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 252.67 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66330886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).