N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine

C14H21ClN2O — CID 65029145

IUPACN-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine
SMILESCCOc1cccc(NCC2CCCCC2Cl)n1
InChIInChI=1S/C14H21ClN2O/c1-2-18-14-9-5-8-13(17-14)16-10-11-6-3-4-7-12(11)15/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,16,17)
InChIKeyMVEURVDBIVNYJC-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.69
Rot. Bonds5

About N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine

N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine (PubChem CID 65029145) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine
PubChem CID65029145
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine
SMILESCCOc1cccc(NCC2CCCCC2Cl)n1
InChIInChI=1S/C14H21ClN2O/c1-2-18-14-9-5-8-13(17-14)16-10-11-6-3-4-7-12(11)15/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,16,17)
InChIKeyMVEURVDBIVNYJC-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine (CID 65029145) is N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine is CCOc1cccc(NCC2CCCCC2Cl)n1.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine?
The InChIKey is MVEURVDBIVNYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-2-18-14-9-5-8-13(17-14)16-10-11-6-3-4-7-12(11)15/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,16,17).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine?
N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine has a molecular weight of 268.79 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine is sourced from PubChem (CID 65029145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).