N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline

C22H23NO2 — CID 54801070

IUPACN-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline
SMILESCc1ccc(CNc2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C22H23NO2/c1-18-11-13-19(14-12-18)17-23-21-9-5-6-10-22(21)25-16-15-24-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3
InChIKeyCMSINKDRXLYAJV-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.06
Rot. Bonds8

About N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline

N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline (PubChem CID 54801070) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline
PubChem CID54801070
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline
SMILESCc1ccc(CNc2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C22H23NO2/c1-18-11-13-19(14-12-18)17-23-21-9-5-6-10-22(21)25-16-15-24-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3
InChIKeyCMSINKDRXLYAJV-UHFFFAOYSA-N
XLogP5.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54801760
2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54798109
2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline
CID 54801709
N-ethyl-2-(2-phenoxyethoxy)aniline
CID 54801094
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54797999
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801303
N-[(4-heptoxyphenyl)methyl]-2-(3-phenylpropoxy)aniline
CID 54801229
2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline
CID 54801750
N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline
CID 54801515
N-benzyl-2-(2-methoxyethoxy)-4-methylaniline
CID 60935556
2-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800021
2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54801824

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline (CID 54801070) is N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline is Cc1ccc(CNc2ccccc2OCCOc2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline?
The InChIKey is CMSINKDRXLYAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-18-11-13-19(14-12-18)17-23-21-9-5-6-10-22(21)25-16-15-24-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline?
N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline has a molecular weight of 333.43 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline is sourced from PubChem (CID 54801070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).