5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine

C14H21ClN2O — CID 62885468

IUPAC5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine
SMILESCNc1ccc(Cl)c(COC2CCCCC2C)n1
InChIInChI=1S/C14H21ClN2O/c1-10-5-3-4-6-13(10)18-9-12-11(15)7-8-14(16-2)17-12/h7-8,10,13H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyXVVOMHDANAOZPI-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.87
Rot. Bonds4

About 5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine

5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine (PubChem CID 62885468) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine
PubChem CID62885468
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine
SMILESCNc1ccc(Cl)c(COC2CCCCC2C)n1
InChIInChI=1S/C14H21ClN2O/c1-10-5-3-4-6-13(10)18-9-12-11(15)7-8-14(16-2)17-12/h7-8,10,13H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyXVVOMHDANAOZPI-UHFFFAOYSA-N
XLogP3.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine (CID 62885468) is 5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine is CNc1ccc(Cl)c(COC2CCCCC2C)n1.
What is the InChIKey of 5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine?
The InChIKey is XVVOMHDANAOZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-5-3-4-6-13(10)18-9-12-11(15)7-8-14(16-2)17-12/h7-8,10,13H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine?
5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine has a molecular weight of 268.79 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine is sourced from PubChem (CID 62885468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).