5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine

C11H16Cl2N2O — CID 114921039

IUPAC5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine
SMILESCOCCCN(C)c1cc(CCl)c(Cl)cn1
InChIInChI=1S/C11H16Cl2N2O/c1-15(4-3-5-16-2)11-6-9(7-12)10(13)8-14-11/h6,8H,3-5,7H2,1-2H3
InChIKeyJLPDMSKHPGFARG-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.95
Rot. Bonds6

About 5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine

5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine (PubChem CID 114921039) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine
PubChem CID114921039
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine
SMILESCOCCCN(C)c1cc(CCl)c(Cl)cn1
InChIInChI=1S/C11H16Cl2N2O/c1-15(4-3-5-16-2)11-6-9(7-12)10(13)8-14-11/h6,8H,3-5,7H2,1-2H3
InChIKeyJLPDMSKHPGFARG-UHFFFAOYSA-N
XLogP2.95
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-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

5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine
CID 114920828
5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 114920911
5-chloro-N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926159
5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 63008775
5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 114921067
5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 114925483
2-tert-butyl-6-chloro-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 80951123
6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80546845
5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine
CID 114920964
5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 80913814
N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 116518970
5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926132

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine (CID 114921039) is 5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine is COCCCN(C)c1cc(CCl)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
The InChIKey is JLPDMSKHPGFARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c1-15(4-3-5-16-2)11-6-9(7-12)10(13)8-14-11/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine has a molecular weight of 263.17 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 114921039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).