N-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine

C25H37NO2 — CID 127028913

IUPACN-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine
SMILESCCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1OC
InChIInChI=1S/C25H37NO2/c1-4-26(21-23-16-10-11-18-25(23)28-3)19-12-8-6-5-7-9-14-22-15-13-17-24(20-22)27-2/h10-11,13,15-18,20H,4-9,12,14,19,21H2,1-3H3
InChIKeyCPIHZFXHCABWRY-UHFFFAOYSA-N
MW383.58 g/mol
LogP6.11
Rot. Bonds14

About N-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine

N-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine (PubChem CID 127028913) has the molecular formula C25H37NO2 and a molecular weight of 383.58 g/mol. Its IUPAC name is N-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine.

Molecular Properties

Compound NameN-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine
PubChem CID127028913
Molecular FormulaC25H37NO2
Molecular Weight383.58 g/mol
Exact Mass383.28
IUPAC NameN-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine
SMILESCCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1OC
InChIInChI=1S/C25H37NO2/c1-4-26(21-23-16-10-11-18-25(23)28-3)19-12-8-6-5-7-9-14-22-15-13-17-24(20-22)27-2/h10-11,13,15-18,20H,4-9,12,14,19,21H2,1-3H3
InChIKeyCPIHZFXHCABWRY-UHFFFAOYSA-N
XLogP6.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine 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-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine?
The IUPAC name of N-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine (CID 127028913) is N-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine.
What is the SMILES notation for N-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine?
The canonical SMILES for N-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine is CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1OC.
What is the InChIKey of N-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine?
The InChIKey is CPIHZFXHCABWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO2/c1-4-26(21-23-16-10-11-18-25(23)28-3)19-12-8-6-5-7-9-14-22-15-13-17-24(20-22)27-2/h10-11,13,15-18,20H,4-9,12,14,19,21H2,1-3H3.
What are the key properties of N-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine?
N-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine has a molecular weight of 383.58 g/mol, XLogP of 6.11, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine is sourced from PubChem (CID 127028913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).