N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline

C26H31NO3 — CID 54801303

IUPACN-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
SMILESCCOCCOc1ccc(CNc2ccccc2OCCCc2ccccc2)cc1
InChIInChI=1S/C26H31NO3/c1-2-28-19-20-29-24-16-14-23(15-17-24)21-27-25-12-6-7-13-26(25)30-18-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-17,27H,2,8,11,18-21H2,1H3
InChIKeyFATYKAXKTFZMJI-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.73
Rot. Bonds13

About N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline

N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline (PubChem CID 54801303) has the molecular formula C26H31NO3 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline.

Molecular Properties

Compound NameN-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
PubChem CID54801303
Molecular FormulaC26H31NO3
Molecular Weight405.54 g/mol
Exact Mass405.23
IUPAC NameN-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
SMILESCCOCCOc1ccc(CNc2ccccc2OCCCc2ccccc2)cc1
InChIInChI=1S/C26H31NO3/c1-2-28-19-20-29-24-16-14-23(15-17-24)21-27-25-12-6-7-13-26(25)30-18-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-17,27H,2,8,11,18-21H2,1H3
InChIKeyFATYKAXKTFZMJI-UHFFFAOYSA-N
XLogP5.73
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.73
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

2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54801760
2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline
CID 54801709
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54797999
N-[(4-heptoxyphenyl)methyl]-2-(3-phenylpropoxy)aniline
CID 54801229
2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline
CID 54801750
N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801301
2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54801824
2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54827411
2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54801716
N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline
CID 54801515
2-(3-phenylpropoxy)-N-[(3-propoxyphenyl)methyl]aniline
CID 54801278
N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline
CID 54801070

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline?
The IUPAC name of N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline (CID 54801303) is N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline.
What is the SMILES notation for N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline?
The canonical SMILES for N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline is CCOCCOc1ccc(CNc2ccccc2OCCCc2ccccc2)cc1.
What is the InChIKey of N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline?
The InChIKey is FATYKAXKTFZMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO3/c1-2-28-19-20-29-24-16-14-23(15-17-24)21-27-25-12-6-7-13-26(25)30-18-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-17,27H,2,8,11,18-21H2,1H3.
What are the key properties of N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline?
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline has a molecular weight of 405.54 g/mol, XLogP of 5.73, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline is sourced from PubChem (CID 54801303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).