2-[(4-methylphenoxy)-phenylmethyl]morpholine

C18H21NO2 — CID 3029454

IUPAC2-[(4-methylphenoxy)-phenylmethyl]morpholine
SMILESCc1ccc(OC(c2ccccc2)C2CNCCO2)cc1
InChIInChI=1S/C18H21NO2/c1-14-7-9-16(10-8-14)21-18(15-5-3-2-4-6-15)17-13-19-11-12-20-17/h2-10,17-19H,11-13H2,1H3
InChIKeyDJHXDRRXSBEOTB-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.10
Rot. Bonds4

About 2-[(4-methylphenoxy)-phenylmethyl]morpholine

2-[(4-methylphenoxy)-phenylmethyl]morpholine (PubChem CID 3029454) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name2-[(4-methylphenoxy)-phenylmethyl]morpholine
PubChem CID3029454
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[(4-methylphenoxy)-phenylmethyl]morpholine
SMILESCc1ccc(OC(c2ccccc2)C2CNCCO2)cc1
InChIInChI=1S/C18H21NO2/c1-14-7-9-16(10-8-14)21-18(15-5-3-2-4-6-15)17-13-19-11-12-20-17/h2-10,17-19H,11-13H2,1H3
InChIKeyDJHXDRRXSBEOTB-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methylphenoxy)-phenylmethyl]morpholine 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 2-[(4-methylphenoxy)-phenylmethyl]morpholine?
The IUPAC name of 2-[(4-methylphenoxy)-phenylmethyl]morpholine (CID 3029454) is 2-[(4-methylphenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for 2-[(4-methylphenoxy)-phenylmethyl]morpholine?
The canonical SMILES for 2-[(4-methylphenoxy)-phenylmethyl]morpholine is Cc1ccc(OC(c2ccccc2)C2CNCCO2)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)-phenylmethyl]morpholine?
The InChIKey is DJHXDRRXSBEOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14-7-9-16(10-8-14)21-18(15-5-3-2-4-6-15)17-13-19-11-12-20-17/h2-10,17-19H,11-13H2,1H3.
What are the key properties of 2-[(4-methylphenoxy)-phenylmethyl]morpholine?
2-[(4-methylphenoxy)-phenylmethyl]morpholine has a molecular weight of 283.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 3029454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).