4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine

C15H25ClN2O — CID 113380762

IUPAC4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine
SMILESCC(C)OCCN(C)c1cc(CCl)cc(C(C)C)n1
InChIInChI=1S/C15H25ClN2O/c1-11(2)14-8-13(10-16)9-15(17-14)18(5)6-7-19-12(3)4/h8-9,11-12H,6-7,10H2,1-5H3
InChIKeyXIDOUKGGHBIISP-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.81
Rot. Bonds7

About 4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine

4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine (PubChem CID 113380762) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine
PubChem CID113380762
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine
SMILESCC(C)OCCN(C)c1cc(CCl)cc(C(C)C)n1
InChIInChI=1S/C15H25ClN2O/c1-11(2)14-8-13(10-16)9-15(17-14)18(5)6-7-19-12(3)4/h8-9,11-12H,6-7,10H2,1-5H3
InChIKeyXIDOUKGGHBIISP-UHFFFAOYSA-N
XLogP3.81
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 81061412
4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine
CID 113381289
6-hydrazinyl-N-methyl-2-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 81065194
2-N-methyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,5-diamine
CID 81067328
6-hydrazinyl-N-methyl-N-(2-propan-2-yloxyethyl)-2-propylpyrimidin-4-amine
CID 81064970
4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine
CID 81068729
2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380189
N,6-dimethyl-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 141150194
4-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81062599
4-ethyl-N,N-dimethyl-6-propan-2-ylpyridin-2-amine
CID 165411396
4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine
CID 107400684
6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 113380682

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine (CID 113380762) is 4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine is CC(C)OCCN(C)c1cc(CCl)cc(C(C)C)n1.
What is the InChIKey of 4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine?
The InChIKey is XIDOUKGGHBIISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-11(2)14-8-13(10-16)9-15(17-14)18(5)6-7-19-12(3)4/h8-9,11-12H,6-7,10H2,1-5H3.
What are the key properties of 4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine?
4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine has a molecular weight of 284.83 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine is sourced from PubChem (CID 113380762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).