3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine

C13H15Cl2F3N2 — CID 102637871

IUPAC3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1ncc(C(F)(F)F)cc1Cl)C1CCCCC1Cl
InChIInChI=1S/C13H15Cl2F3N2/c1-20(11-5-3-2-4-9(11)14)12-10(15)6-8(7-19-12)13(16,17)18/h6-7,9,11H,2-5H2,1H3
InChIKeyPDUULMZMJXULNJ-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.74
Rot. Bonds2

About 3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 102637871) has the molecular formula C13H15Cl2F3N2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID102637871
Molecular FormulaC13H15Cl2F3N2
Molecular Weight327.18 g/mol
Exact Mass326.06
IUPAC Name3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1ncc(C(F)(F)F)cc1Cl)C1CCCCC1Cl
InChIInChI=1S/C13H15Cl2F3N2/c1-20(11-5-3-2-4-9(11)14)12-10(15)6-8(7-19-12)13(16,17)18/h6-7,9,11H,2-5H2,1H3
InChIKeyPDUULMZMJXULNJ-UHFFFAOYSA-N
XLogP4.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine
CID 79115291
3-chloro-N-methyl-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 71640871
3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 71641080
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine
CID 102637773
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116653233
3-chloro-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine
CID 114046172
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79114166
3-chloro-N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164580
3-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164579
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 55037938
3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine
CID 55206297

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 102637871) is 3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine is CN(c1ncc(C(F)(F)F)cc1Cl)C1CCCCC1Cl.
What is the InChIKey of 3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PDUULMZMJXULNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2F3N2/c1-20(11-5-3-2-4-9(11)14)12-10(15)6-8(7-19-12)13(16,17)18/h6-7,9,11H,2-5H2,1H3.
What are the key properties of 3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 327.18 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102637871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).