3-[(2-methoxy-4,6-diphenylphenyl)methoxy]propan-1-amine

C23H25NO2 — CID 140569407

IUPAC3-[(2-methoxy-4,6-diphenylphenyl)methoxy]propan-1-amine
SMILESCOc1cc(-c2ccccc2)cc(-c2ccccc2)c1COCCCN
InChIInChI=1S/C23H25NO2/c1-25-23-16-20(18-9-4-2-5-10-18)15-21(19-11-6-3-7-12-19)22(23)17-26-14-8-13-24/h2-7,9-12,15-16H,8,13-14,17,24H2,1H3
InChIKeyFZNAJGYUUZNKHW-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.89
Rot. Bonds8

About 3-[(2-methoxy-4,6-diphenylphenyl)methoxy]propan-1-amine

3-[(2-methoxy-4,6-diphenylphenyl)methoxy]propan-1-amine (PubChem CID 140569407) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[(2-methoxy-4,6-diphenylphenyl)methoxy]propan-1-amine.

Molecular Properties

Compound Name3-[(2-methoxy-4,6-diphenylphenyl)methoxy]propan-1-amine
PubChem CID140569407
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name3-[(2-methoxy-4,6-diphenylphenyl)methoxy]propan-1-amine
SMILESCOc1cc(-c2ccccc2)cc(-c2ccccc2)c1COCCCN
InChIInChI=1S/C23H25NO2/c1-25-23-16-20(18-9-4-2-5-10-18)15-21(19-11-6-3-7-12-19)22(23)17-26-14-8-13-24/h2-7,9-12,15-16H,8,13-14,17,24H2,1H3
InChIKeyFZNAJGYUUZNKHW-UHFFFAOYSA-N
XLogP4.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[(2-methoxy-4,6-diphenylphenyl)methoxy]propan-1-amine?
The IUPAC name of 3-[(2-methoxy-4,6-diphenylphenyl)methoxy]propan-1-amine (CID 140569407) is 3-[(2-methoxy-4,6-diphenylphenyl)methoxy]propan-1-amine.
What is the SMILES notation for 3-[(2-methoxy-4,6-diphenylphenyl)methoxy]propan-1-amine?
The canonical SMILES for 3-[(2-methoxy-4,6-diphenylphenyl)methoxy]propan-1-amine is COc1cc(-c2ccccc2)cc(-c2ccccc2)c1COCCCN.
What is the InChIKey of 3-[(2-methoxy-4,6-diphenylphenyl)methoxy]propan-1-amine?
The InChIKey is FZNAJGYUUZNKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-25-23-16-20(18-9-4-2-5-10-18)15-21(19-11-6-3-7-12-19)22(23)17-26-14-8-13-24/h2-7,9-12,15-16H,8,13-14,17,24H2,1H3.
What are the key properties of 3-[(2-methoxy-4,6-diphenylphenyl)methoxy]propan-1-amine?
3-[(2-methoxy-4,6-diphenylphenyl)methoxy]propan-1-amine has a molecular weight of 347.46 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-4,6-diphenylphenyl)methoxy]propan-1-amine is sourced from PubChem (CID 140569407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).