5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine

C16H19ClN2O — CID 80628764

IUPAC5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
SMILESCOc1cccc(CN(C)c2ncc(CCl)cc2C)c1
InChIInChI=1S/C16H19ClN2O/c1-12-7-14(9-17)10-18-16(12)19(2)11-13-5-4-6-15(8-13)20-3/h4-8,10H,9,11H2,1-3H3
InChIKeyGDOBFTMRTZHVLU-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.77
Rot. Bonds5

About 5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine

5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine (PubChem CID 80628764) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
PubChem CID80628764
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
SMILESCOc1cccc(CN(C)c2ncc(CCl)cc2C)c1
InChIInChI=1S/C16H19ClN2O/c1-12-7-14(9-17)10-18-16(12)19(2)11-13-5-4-6-15(8-13)20-3/h4-8,10H,9,11H2,1-3H3
InChIKeyGDOBFTMRTZHVLU-UHFFFAOYSA-N
XLogP3.77
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine
CID 105367764
5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80628754
5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 103583219
4-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418126
2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 61418078
5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 61420357
5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine
CID 80628236
5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 171328588
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
CID 61420405
[2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol
CID 61417707
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61420063
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine (CID 80628764) is 5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine is COc1cccc(CN(C)c2ncc(CCl)cc2C)c1.
What is the InChIKey of 5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine?
The InChIKey is GDOBFTMRTZHVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-12-7-14(9-17)10-18-16(12)19(2)11-13-5-4-6-15(8-13)20-3/h4-8,10H,9,11H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine?
5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine has a molecular weight of 290.79 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 80628764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).