2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine

C12H19ClN2 — CID 65483551

IUPAC2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine
SMILESCCC(CC)CNc1c(C)ccnc1Cl
InChIInChI=1S/C12H19ClN2/c1-4-10(5-2)8-15-11-9(3)6-7-14-12(11)13/h6-7,10,15H,4-5,8H2,1-3H3
InChIKeyCJGDDHCNTXYKFA-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.89
Rot. Bonds5

About 2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine

2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine (PubChem CID 65483551) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine
PubChem CID65483551
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine
SMILESCCC(CC)CNc1c(C)ccnc1Cl
InChIInChI=1S/C12H19ClN2/c1-4-10(5-2)8-15-11-9(3)6-7-14-12(11)13/h6-7,10,15H,4-5,8H2,1-3H3
InChIKeyCJGDDHCNTXYKFA-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.89
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

N-butyl-2-chloro-4-methylpyridin-3-amine
CID 65483347
2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine
CID 65483153
3-bromo-N-(2-ethylbutyl)-4-methylpyridin-2-amine
CID 106875971
2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine
CID 65489501
N-[(4-tert-butylphenyl)methyl]-2-chloro-4-methylpyridin-3-amine
CID 65484317
2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine
CID 114871652
2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine
CID 103088102
2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 81311469
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine
CID 65485112
2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 65485686
2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine
CID 65485111
2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyridin-3-amine
CID 65483729

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine (CID 65483551) is 2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine is CCC(CC)CNc1c(C)ccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine?
The InChIKey is CJGDDHCNTXYKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-4-10(5-2)8-15-11-9(3)6-7-14-12(11)13/h6-7,10,15H,4-5,8H2,1-3H3.
What are the key properties of 2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine?
2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine has a molecular weight of 226.75 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine is sourced from PubChem (CID 65483551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).