N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline

C23H25NO3 — CID 54800838

IUPACN-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
SMILESCc1ccc(OCCNc2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C23H25NO3/c1-19-10-12-22(13-11-19)25-15-14-24-20-6-5-9-23(18-20)27-17-16-26-21-7-3-2-4-8-21/h2-13,18,24H,14-17H2,1H3
InChIKeyQOOWITLXTTUZER-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.94
Rot. Bonds10

About N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline

N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline (PubChem CID 54800838) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
PubChem CID54800838
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
SMILESCc1ccc(OCCNc2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C23H25NO3/c1-19-10-12-22(13-11-19)25-15-14-24-20-6-5-9-23(18-20)27-17-16-26-21-7-3-2-4-8-21/h2-13,18,24H,14-17H2,1H3
InChIKeyQOOWITLXTTUZER-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
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

N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800772
3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54802754
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079
3-butoxy-N-[2-(3,5-dimethylphenoxy)ethyl]aniline
CID 54800670
N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline
CID 54801279
3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine
CID 115377712
N-[2-(4-tert-butylphenoxy)ethyl]-3-(2-methoxyethoxy)aniline
CID 54803038
formamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 144783373
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
N-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline
CID 54802531
N-[4-(4-methylphenoxy)butyl]aniline
CID 82096490

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline (CID 54800838) is N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline is Cc1ccc(OCCNc2cccc(OCCOc3ccccc3)c2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline?
The InChIKey is QOOWITLXTTUZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-19-10-12-22(13-11-19)25-15-14-24-20-6-5-9-23(18-20)27-17-16-26-21-7-3-2-4-8-21/h2-13,18,24H,14-17H2,1H3.
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline?
N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline has a molecular weight of 363.46 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline is sourced from PubChem (CID 54800838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).