2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline

C24H35NO3 — CID 54801750

IUPAC2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline
SMILESCCCCCCCOc1ccc(CNc2ccccc2OCCOCC)cc1
InChIInChI=1S/C24H35NO3/c1-3-5-6-7-10-17-27-22-15-13-21(14-16-22)20-25-23-11-8-9-12-24(23)28-19-18-26-4-2/h8-9,11-16,25H,3-7,10,17-20H2,1-2H3
InChIKeyAWWJWSCOYQALLT-UHFFFAOYSA-N
MW385.55 g/mol
LogP6.06
Rot. Bonds15

About 2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline

2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline (PubChem CID 54801750) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline
PubChem CID54801750
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC Name2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline
SMILESCCCCCCCOc1ccc(CNc2ccccc2OCCOCC)cc1
InChIInChI=1S/C24H35NO3/c1-3-5-6-7-10-17-27-22-15-13-21(14-16-22)20-25-23-11-8-9-12-24(23)28-19-18-26-4-2/h8-9,11-16,25H,3-7,10,17-20H2,1-2H3
InChIKeyAWWJWSCOYQALLT-UHFFFAOYSA-N
XLogP6.06
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 56.06
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-propoxyphenyl)methyl]aniline
CID 54801709
2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54801760
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-(2-methylpropoxy)phenyl]methyl]aniline
CID 54801824
2-(2-ethoxyethoxy)-N-hexylaniline
CID 54801767
2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54801716
N-[(4-butoxyphenyl)methyl]-4-(2-ethoxyethoxy)aniline
CID 54801022
N-[(4-hexoxyphenyl)methyl]-2-propan-2-ylaniline
CID 54800428
N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54808512
2-butoxy-N-[(3-butoxyphenyl)methyl]aniline
CID 54801697

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline?
The IUPAC name of 2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline (CID 54801750) is 2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline is CCCCCCCOc1ccc(CNc2ccccc2OCCOCC)cc1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline?
The InChIKey is AWWJWSCOYQALLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3/c1-3-5-6-7-10-17-27-22-15-13-21(14-16-22)20-25-23-11-8-9-12-24(23)28-19-18-26-4-2/h8-9,11-16,25H,3-7,10,17-20H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline?
2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline has a molecular weight of 385.55 g/mol, XLogP of 6.06, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline is sourced from PubChem (CID 54801750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).