2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine

C15H23ClN2O — CID 106365284

IUPAC2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
SMILESCOc1cc(C)nc(CNC2CCCCC2CCl)c1
InChIInChI=1S/C15H23ClN2O/c1-11-7-14(19-2)8-13(18-11)10-17-15-6-4-3-5-12(15)9-16/h7-8,12,15,17H,3-6,9-10H2,1-2H3
InChIKeyKAMAPOSVTNAEAD-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.29
Rot. Bonds5

About 2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine

2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine (PubChem CID 106365284) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
PubChem CID106365284
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
SMILESCOc1cc(C)nc(CNC2CCCCC2CCl)c1
InChIInChI=1S/C15H23ClN2O/c1-11-7-14(19-2)8-13(18-11)10-17-15-6-4-3-5-12(15)9-16/h7-8,12,15,17H,3-6,9-10H2,1-2H3
InChIKeyKAMAPOSVTNAEAD-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 82893823
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylcyclopropan-1-amine
CID 103933083
2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 106364903
N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine
CID 83235465
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 82893003
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]oxetan-3-amine
CID 82893078
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylcyclopentan-1-amine
CID 114545775
1-(4-methoxy-6-methyl-2-pyridinyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 82893756
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine
CID 82895519
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 82887683
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-methylcyclopentan-1-amine
CID 82892831

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine (CID 106365284) is 2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine is COc1cc(C)nc(CNC2CCCCC2CCl)c1.
What is the InChIKey of 2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine?
The InChIKey is KAMAPOSVTNAEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11-7-14(19-2)8-13(18-11)10-17-15-6-4-3-5-12(15)9-16/h7-8,12,15,17H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine?
2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine has a molecular weight of 282.81 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106365284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).