2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane

C11H19ClN2 — CID 176926162

IUPAC2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane
SMILESCC.CNc1ccc(C(C)C)nc1Cl
InChIInChI=1S/C9H13ClN2.C2H6/c1-6(2)7-4-5-8(11-3)9(10)12-7;1-2/h4-6,11H,1-3H3;1-2H3
InChIKeyDFKVXSKNFKUZTG-UHFFFAOYSA-N
MW214.74 g/mol
LogP3.93
Rot. Bonds2

About 2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane

2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane (PubChem CID 176926162) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is 2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane.

Molecular Properties

Compound Name2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane
PubChem CID176926162
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane
SMILESCC.CNc1ccc(C(C)C)nc1Cl
InChIInChI=1S/C9H13ClN2.C2H6/c1-6(2)7-4-5-8(11-3)9(10)12-7;1-2/h4-6,11H,1-3H3;1-2H3
InChIKeyDFKVXSKNFKUZTG-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-methylpyridin-3-amine
CID 15164128
2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine
CID 105458279
(2-chloro-6-propan-2-yl-3-pyridinyl)methanol
CID 58333500
2-chloro-6-propan-2-ylpyridine-3-carboxamide
CID 155465069
(2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone
CID 22080771
2-bromo-6-chloro-N-methylpyridin-3-amine
CID 90061658
ethane;2-propan-2-ylquinoline
CID 142538504
2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 102239123
2-chloro-3,4-dimethyl-6-propan-2-ylpyridine
CID 135139211
N,6-dimethyl-2-propan-2-ylquinolin-4-amine
CID 62202007
2-methyl-3,6-di(propan-2-yl)pyridine
CID 20738069
6-fluoro-N-methyl-2-propan-2-ylquinolin-4-amine
CID 62202391

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane?
The IUPAC name of 2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane (CID 176926162) is 2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane.
What is the SMILES notation for 2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane?
The canonical SMILES for 2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane is CC.CNc1ccc(C(C)C)nc1Cl.
What is the InChIKey of 2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane?
The InChIKey is DFKVXSKNFKUZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2.C2H6/c1-6(2)7-4-5-8(11-3)9(10)12-7;1-2/h4-6,11H,1-3H3;1-2H3.
What are the key properties of 2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane?
2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane has a molecular weight of 214.74 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane is sourced from PubChem (CID 176926162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).