2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine

C15H23ClN2O — CID 102637568

IUPAC2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine
SMILESCOc1cc(C)nc(CN(C)C2CCCCC2Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-11-8-13(19-3)9-12(17-11)10-18(2)15-7-5-4-6-14(15)16/h8-9,14-15H,4-7,10H2,1-3H3
InChIKeyGMZJBLFAORIHQR-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.38
Rot. Bonds4

About 2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine

2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 102637568) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID102637568
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine
SMILESCOc1cc(C)nc(CN(C)C2CCCCC2Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-11-8-13(19-3)9-12(17-11)10-18(2)15-7-5-4-6-14(15)16/h8-9,14-15H,4-7,10H2,1-3H3
InChIKeyGMZJBLFAORIHQR-UHFFFAOYSA-N
XLogP3.38
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.38
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 2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine (CID 102637568) is 2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine is COc1cc(C)nc(CN(C)C2CCCCC2Cl)c1.
What is the InChIKey of 2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is GMZJBLFAORIHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11-8-13(19-3)9-12(17-11)10-18(2)15-7-5-4-6-14(15)16/h8-9,14-15H,4-7,10H2,1-3H3.
What are the key properties of 2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine?
2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 282.81 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102637568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).