6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine

C12H16ClF3N2 — CID 102715487

IUPAC6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCC(C)CN(C)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H16ClF3N2/c1-4-8(2)7-18(3)11-6-9(12(14,15)16)5-10(13)17-11/h5-6,8H,4,7H2,1-3H3
InChIKeyFEFGXXNPBSFANW-UHFFFAOYSA-N
MW280.72 g/mol
LogP4.24
Rot. Bonds4

About 6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715487) has the molecular formula C12H16ClF3N2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715487
Molecular FormulaC12H16ClF3N2
Molecular Weight280.72 g/mol
Exact Mass280.10
IUPAC Name6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCC(C)CN(C)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H16ClF3N2/c1-4-8(2)7-18(3)11-6-9(12(14,15)16)5-10(13)17-11/h5-6,8H,4,7H2,1-3H3
InChIKeyFEFGXXNPBSFANW-UHFFFAOYSA-N
XLogP4.24
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715484
6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717450
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 102715710
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol
CID 102715711
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 102716156
6-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720431
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715602
N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715585
6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715603
6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715792
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 102720682
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
CID 102715690

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102715487) is 6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine is CCC(C)CN(C)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FEFGXXNPBSFANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N2/c1-4-8(2)7-18(3)11-6-9(12(14,15)16)5-10(13)17-11/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 280.72 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).