5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine

C13H14ClN3 — CID 61256200

IUPAC5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCN(Cc1ccccn1)c1ccc(CCl)cn1
InChIInChI=1S/C13H14ClN3/c1-17(10-12-4-2-3-7-15-12)13-6-5-11(8-14)9-16-13/h2-7,9H,8,10H2,1H3
InChIKeyCRMKYMOGCLLOIW-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.85
Rot. Bonds4

About 5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine

5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine (PubChem CID 61256200) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
PubChem CID61256200
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCN(Cc1ccccn1)c1ccc(CCl)cn1
InChIInChI=1S/C13H14ClN3/c1-17(10-12-4-2-3-7-15-12)13-6-5-11(8-14)9-16-13/h2-7,9H,8,10H2,1H3
InChIKeyCRMKYMOGCLLOIW-UHFFFAOYSA-N
XLogP2.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.85
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

2-N,6-N-dimethyl-2-N,6-N-bis(pyridin-2-ylmethyl)pyrazine-2,6-diamine
CID 100671089
5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418221
6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide
CID 43565707
N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328176
[6-[methyl(pyridin-2-ylmethyl)amino]pyrazin-2-yl]methanol
CID 66467294
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80939812
5-fluoro-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328236
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 133442644
5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 63008775

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine (CID 61256200) is 5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine is CN(Cc1ccccn1)c1ccc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The InChIKey is CRMKYMOGCLLOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-17(10-12-4-2-3-7-15-12)13-6-5-11(8-14)9-16-13/h2-7,9H,8,10H2,1H3.
What are the key properties of 5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine?
5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine has a molecular weight of 247.73 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 61256200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).