5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine

C15H17ClN2 — CID 80628236

IUPAC5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine
SMILESCc1cccc(N(C)c2ncc(CCl)cc2C)c1
InChIInChI=1S/C15H17ClN2/c1-11-5-4-6-14(7-11)18(3)15-12(2)8-13(9-16)10-17-15/h4-8,10H,9H2,1-3H3
InChIKeyOTXKZIOHBHGIRL-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.21
Rot. Bonds3

About 5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine

5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine (PubChem CID 80628236) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine
PubChem CID80628236
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine
SMILESCc1cccc(N(C)c2ncc(CCl)cc2C)c1
InChIInChI=1S/C15H17ClN2/c1-11-5-4-6-14(7-11)18(3)15-12(2)8-13(9-16)10-17-15/h4-8,10H,9H2,1-3H3
InChIKeyOTXKZIOHBHGIRL-UHFFFAOYSA-N
XLogP4.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine (CID 80628236) is 5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine is Cc1cccc(N(C)c2ncc(CCl)cc2C)c1.
What is the InChIKey of 5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine?
The InChIKey is OTXKZIOHBHGIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11-5-4-6-14(7-11)18(3)15-12(2)8-13(9-16)10-17-15/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine?
5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine has a molecular weight of 260.77 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 80628236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).