N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline

C26H31NO2 — CID 54801301

IUPACN-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
SMILESCC(C)COc1ccc(CNc2ccccc2OCCCc2ccccc2)cc1
InChIInChI=1S/C26H31NO2/c1-21(2)20-29-24-16-14-23(15-17-24)19-27-25-12-6-7-13-26(25)28-18-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-17,21,27H,8,11,18-20H2,1-2H3
InChIKeyJRHLEDKPZGFXDE-UHFFFAOYSA-N
MW389.54 g/mol
LogP6.35
Rot. Bonds11

About N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline

N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline (PubChem CID 54801301) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline.

Molecular Properties

Compound NameN-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
PubChem CID54801301
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC NameN-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
SMILESCC(C)COc1ccc(CNc2ccccc2OCCCc2ccccc2)cc1
InChIInChI=1S/C26H31NO2/c1-21(2)20-29-24-16-14-23(15-17-24)19-27-25-12-6-7-13-26(25)28-18-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-17,21,27H,8,11,18-20H2,1-2H3
InChIKeyJRHLEDKPZGFXDE-UHFFFAOYSA-N
XLogP6.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801331
2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54798124
2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54801824
N-[(4-heptoxyphenyl)methyl]-2-(3-phenylpropoxy)aniline
CID 54801229
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801303
2-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800021
N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline
CID 54801515
2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 39372728
N-[[3-(2-methylpropoxy)phenyl]methyl]-4-(3-phenylpropoxy)aniline
CID 54801132
N-[(3-butoxyphenyl)methyl]-2-(2-methylpropoxy)aniline
CID 54800030
N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine
CID 39369134
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801255

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline?
The IUPAC name of N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline (CID 54801301) is N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline.
What is the SMILES notation for N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline?
The canonical SMILES for N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline is CC(C)COc1ccc(CNc2ccccc2OCCCc2ccccc2)cc1.
What is the InChIKey of N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline?
The InChIKey is JRHLEDKPZGFXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-21(2)20-29-24-16-14-23(15-17-24)19-27-25-12-6-7-13-26(25)28-18-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-17,21,27H,8,11,18-20H2,1-2H3.
What are the key properties of N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline?
N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline has a molecular weight of 389.54 g/mol, XLogP of 6.35, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline is sourced from PubChem (CID 54801301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).