N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline

C23H25NO3 — CID 146295838

IUPACN-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline
SMILESCOCCOc1cccc(Nc2ccc(OCc3ccccc3)cc2C)c1
InChIInChI=1S/C23H25NO3/c1-18-15-22(27-17-19-7-4-3-5-8-19)11-12-23(18)24-20-9-6-10-21(16-20)26-14-13-25-2/h3-12,15-16,24H,13-14,17H2,1-2H3
InChIKeyRJUKWYJINJFEGK-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.34
Rot. Bonds9

About N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline

N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline (PubChem CID 146295838) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline
PubChem CID146295838
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC NameN-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline
SMILESCOCCOc1cccc(Nc2ccc(OCc3ccccc3)cc2C)c1
InChIInChI=1S/C23H25NO3/c1-18-15-22(27-17-19-7-4-3-5-8-19)11-12-23(18)24-20-9-6-10-21(16-20)26-14-13-25-2/h3-12,15-16,24H,13-14,17H2,1-2H3
InChIKeyRJUKWYJINJFEGK-UHFFFAOYSA-N
XLogP5.34
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
4-(2-phenoxyethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086224
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine
CID 70695574
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799476
N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline
CID 158131264
1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
CID 174285774
N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline
CID 54801279
4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid
CID 169410438
2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine
CID 86689306

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline?
The IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline (CID 146295838) is N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline.
What is the SMILES notation for N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline?
The canonical SMILES for N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline is COCCOc1cccc(Nc2ccc(OCc3ccccc3)cc2C)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline?
The InChIKey is RJUKWYJINJFEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-18-15-22(27-17-19-7-4-3-5-8-19)11-12-23(18)24-20-9-6-10-21(16-20)26-14-13-25-2/h3-12,15-16,24H,13-14,17H2,1-2H3.
What are the key properties of N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline?
N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline has a molecular weight of 363.46 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline is sourced from PubChem (CID 146295838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).