N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine

C24H27NO2 — CID 1376413

IUPACN-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C24H27NO2/c1-3-25(17-20-10-6-4-7-11-20)18-22-14-15-23(24(16-22)26-2)27-19-21-12-8-5-9-13-21/h4-16H,3,17-19H2,1-2H3
InChIKeyCKYDWULQIWQBCW-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.30
Rot. Bonds9

About N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine

N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine (PubChem CID 1376413) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine
PubChem CID1376413
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C24H27NO2/c1-3-25(17-20-10-6-4-7-11-20)18-22-14-15-23(24(16-22)26-2)27-19-21-12-8-5-9-13-21/h4-16H,3,17-19H2,1-2H3
InChIKeyCKYDWULQIWQBCW-UHFFFAOYSA-N
XLogP5.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine 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-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine (CID 1376413) is N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine is CCN(Cc1ccccc1)Cc1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine?
The InChIKey is CKYDWULQIWQBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-3-25(17-20-10-6-4-7-11-20)18-22-14-15-23(24(16-22)26-2)27-19-21-12-8-5-9-13-21/h4-16H,3,17-19H2,1-2H3.
What are the key properties of N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine?
N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine has a molecular weight of 361.49 g/mol, XLogP of 5.30, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 1376413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).