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

C23H25NO3 — CID 54799476

IUPACN-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
SMILESCOCCOc1ccc(CNc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H25NO3/c1-25-15-16-26-22-11-7-19(8-12-22)17-24-21-9-13-23(14-10-21)27-18-20-5-3-2-4-6-20/h2-14,24H,15-18H2,1H3
InChIKeyFUXVFRYCYXMSLF-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.90
Rot. Bonds10

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

N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline (PubChem CID 54799476) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
PubChem CID54799476
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
SMILESCOCCOc1ccc(CNc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H25NO3/c1-25-15-16-26-22-11-7-19(8-12-22)17-24-21-9-13-23(14-10-21)27-18-20-5-3-2-4-6-20/h2-14,24H,15-18H2,1H3
InChIKeyFUXVFRYCYXMSLF-UHFFFAOYSA-N
XLogP4.90
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline
CID 118960656
4-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 43734131
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 43734134
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
4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797347
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117217
N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline
CID 90023157
N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109015111

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline (CID 54799476) is N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline is COCCOc1ccc(CNc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline?
The InChIKey is FUXVFRYCYXMSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-25-15-16-26-22-11-7-19(8-12-22)17-24-21-9-13-23(14-10-21)27-18-20-5-3-2-4-6-20/h2-14,24H,15-18H2,1H3.
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline?
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline has a molecular weight of 363.46 g/mol, XLogP of 4.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline is sourced from PubChem (CID 54799476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).