N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline

C23H25NO2 — CID 118960656

IUPACN-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline
SMILESCOCCc1ccc(CNc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H25NO2/c1-25-16-15-19-7-9-20(10-8-19)17-24-22-11-13-23(14-12-22)26-18-21-5-3-2-4-6-21/h2-14,24H,15-18H2,1H3
InChIKeyRISKYQALPMETSV-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.07
Rot. Bonds9

About N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline

N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline (PubChem CID 118960656) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline
PubChem CID118960656
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC NameN-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline
SMILESCOCCc1ccc(CNc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H25NO2/c1-25-16-15-19-7-9-20(10-8-19)17-24-22-11-13-23(14-12-22)26-18-21-5-3-2-4-6-21/h2-14,24H,15-18H2,1H3
InChIKeyRISKYQALPMETSV-UHFFFAOYSA-N
XLogP5.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline 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-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799476
4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797347
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
N-[[2-(2-phenylethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799401
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline
CID 50888447
N-[(4-methoxyphenyl)methyl]-6-phenylmethoxynaphthalen-2-amine
CID 25139545
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117217
4-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 43734131

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline?
The IUPAC name of N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline (CID 118960656) is N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline.
What is the SMILES notation for N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline?
The canonical SMILES for N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline is COCCc1ccc(CNc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline?
The InChIKey is RISKYQALPMETSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-25-16-15-19-7-9-20(10-8-19)17-24-22-11-13-23(14-12-22)26-18-21-5-3-2-4-6-21/h2-14,24H,15-18H2,1H3.
What are the key properties of N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline?
N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline has a molecular weight of 347.46 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline is sourced from PubChem (CID 118960656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).