N-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine

C13H19ClN2O — CID 106365699

IUPACN-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine
SMILESCOc1cc(NC2CCCCC2CCl)ccn1
InChIInChI=1S/C13H19ClN2O/c1-17-13-8-11(6-7-15-13)16-12-5-3-2-4-10(12)9-14/h6-8,10,12H,2-5,9H2,1H3,(H,15,16)
InChIKeyGROVMULDBBEDRN-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.30
Rot. Bonds4

About N-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine

N-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine (PubChem CID 106365699) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine
PubChem CID106365699
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine
SMILESCOc1cc(NC2CCCCC2CCl)ccn1
InChIInChI=1S/C13H19ClN2O/c1-17-13-8-11(6-7-15-13)16-12-5-3-2-4-10(12)9-14/h6-8,10,12H,2-5,9H2,1H3,(H,15,16)
InChIKeyGROVMULDBBEDRN-UHFFFAOYSA-N
XLogP3.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.30
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

N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106365613
N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine
CID 106365718
N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine
CID 112684653
[2-[(2-methyl-4-pyridinyl)amino]cyclopentyl]methanol
CID 104924451
N-[2-(chloromethyl)cyclopentyl]-2-methylpyrimidin-4-amine
CID 106365424
4-[(2-ethylcyclohexyl)amino]pyridine-2-carbonitrile
CID 62926226
N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine
CID 106365543
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclopentan-1-amine
CID 113260129
N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine
CID 114547998
2-methoxy-N-(2-methylpiperidin-4-yl)pyridin-4-amine
CID 106996332
N-(2-ethylcyclohexyl)pyridin-4-amine
CID 61469829
7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine
CID 106365685

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine (CID 106365699) is N-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine is COc1cc(NC2CCCCC2CCl)ccn1.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine?
The InChIKey is GROVMULDBBEDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-17-13-8-11(6-7-15-13)16-12-5-3-2-4-10(12)9-14/h6-8,10,12H,2-5,9H2,1H3,(H,15,16).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine?
N-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine has a molecular weight of 254.76 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine is sourced from PubChem (CID 106365699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).