4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)cyclohexan-1-amine

C20H26N2O2 — CID 10892762

IUPAC4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)cyclohexan-1-amine
SMILESCOc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1
InChIInChI=1S/C20H26N2O2/c1-23-19-6-4-5-17(15-19)16-8-10-18(11-9-16)21-13-14-24-20-7-2-3-12-22-20/h2-7,12,15-16,18,21H,8-11,13-14H2,1H3
InChIKeyQEJVHQDLWUVNET-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.79
Rot. Bonds7

About 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)cyclohexan-1-amine

4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)cyclohexan-1-amine (PubChem CID 10892762) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)cyclohexan-1-amine
PubChem CID10892762
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)cyclohexan-1-amine
SMILESCOc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1
InChIInChI=1S/C20H26N2O2/c1-23-19-6-4-5-17(15-19)16-8-10-18(11-9-16)21-13-14-24-20-7-2-3-12-22-20/h2-7,12,15-16,18,21H,8-11,13-14H2,1H3
InChIKeyQEJVHQDLWUVNET-UHFFFAOYSA-N
XLogP3.79
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)cyclohexan-1-amine?
The IUPAC name of 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)cyclohexan-1-amine (CID 10892762) is 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)cyclohexan-1-amine is COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)cyclohexan-1-amine?
The InChIKey is QEJVHQDLWUVNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-23-19-6-4-5-17(15-19)16-8-10-18(11-9-16)21-13-14-24-20-7-2-3-12-22-20/h2-7,12,15-16,18,21H,8-11,13-14H2,1H3.
What are the key properties of 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)cyclohexan-1-amine?
4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)cyclohexan-1-amine has a molecular weight of 326.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-(2-pyridin-2-yloxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 10892762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).