N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine

C11H14ClF3N2 — CID 115363721

IUPACN-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(CCl)CNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H14ClF3N2/c1-10(2,6-12)7-17-9-5-8(3-4-16-9)11(13,14)15/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyMBPLFTWGIJCAEC-UHFFFAOYSA-N
MW266.69 g/mol
LogP3.78
Rot. Bonds4

About N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine

N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 115363721) has the molecular formula C11H14ClF3N2 and a molecular weight of 266.69 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID115363721
Molecular FormulaC11H14ClF3N2
Molecular Weight266.69 g/mol
Exact Mass266.08
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(CCl)CNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H14ClF3N2/c1-10(2,6-12)7-17-9-5-8(3-4-16-9)11(13,14)15/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyMBPLFTWGIJCAEC-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 53.78
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

N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115681101
N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328524
N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 114943044
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 107233201
2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133473010
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 80528200
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106117408

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine (CID 115363721) is N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine is CC(C)(CCl)CNc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MBPLFTWGIJCAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2/c1-10(2,6-12)7-17-9-5-8(3-4-16-9)11(13,14)15/h3-5H,6-7H2,1-2H3,(H,16,17).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 266.69 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115363721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).