5-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine

C13H21ClN2O — CID 54987100

IUPAC5-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine
SMILESCOCCN(CC(C)C)c1ccc(CCl)cn1
InChIInChI=1S/C13H21ClN2O/c1-11(2)10-16(6-7-17-3)13-5-4-12(8-14)9-15-13/h4-5,9,11H,6-8,10H2,1-3H3
InChIKeyKOOYHRVNMHWSEE-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.93
Rot. Bonds7

About 5-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine

5-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine (PubChem CID 54987100) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine
PubChem CID54987100
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name5-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine
SMILESCOCCN(CC(C)C)c1ccc(CCl)cn1
InChIInChI=1S/C13H21ClN2O/c1-11(2)10-16(6-7-17-3)13-5-4-12(8-14)9-15-13/h4-5,9,11H,6-8,10H2,1-3H3
InChIKeyKOOYHRVNMHWSEE-UHFFFAOYSA-N
XLogP2.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine (CID 54987100) is 5-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine is COCCN(CC(C)C)c1ccc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine?
The InChIKey is KOOYHRVNMHWSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-11(2)10-16(6-7-17-3)13-5-4-12(8-14)9-15-13/h4-5,9,11H,6-8,10H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine?
5-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine has a molecular weight of 256.78 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 54987100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).