3-(2-methoxyphenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine

C25H29NO3 — CID 2945722

IUPAC3-(2-methoxyphenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCCC(c2ccc(OC)cc2)c2ccccc2OC)cc1
InChIInChI=1S/C25H29NO3/c1-27-21-12-8-19(9-13-21)18-26-17-16-23(20-10-14-22(28-2)15-11-20)24-6-4-5-7-25(24)29-3/h4-15,23,26H,16-18H2,1-3H3
InChIKeyOJPCZQJSRIQTSG-UHFFFAOYSA-N
MW391.51 g/mol
LogP5.02
Rot. Bonds10

About 3-(2-methoxyphenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine

3-(2-methoxyphenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 2945722) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
PubChem CID2945722
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name3-(2-methoxyphenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCCC(c2ccc(OC)cc2)c2ccccc2OC)cc1
InChIInChI=1S/C25H29NO3/c1-27-21-12-8-19(9-13-21)18-26-17-16-23(20-10-14-22(28-2)15-11-20)24-6-4-5-7-25(24)29-3/h4-15,23,26H,16-18H2,1-3H3
InChIKeyOJPCZQJSRIQTSG-UHFFFAOYSA-N
XLogP5.02
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.02
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 3-(2-methoxyphenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-(2-methoxyphenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine (CID 2945722) is 3-(2-methoxyphenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine is COc1ccc(CNCCC(c2ccc(OC)cc2)c2ccccc2OC)cc1.
What is the InChIKey of 3-(2-methoxyphenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is OJPCZQJSRIQTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-27-21-12-8-19(9-13-21)18-26-17-16-23(20-10-14-22(28-2)15-11-20)24-6-4-5-7-25(24)29-3/h4-15,23,26H,16-18H2,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine?
3-(2-methoxyphenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 391.51 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 2945722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).