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

C21H29NO3 — CID 54801824

IUPAC2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCCOCCOc1ccccc1NCc1ccc(OCC(C)C)cc1
InChIInChI=1S/C21H29NO3/c1-4-23-13-14-24-21-8-6-5-7-20(21)22-15-18-9-11-19(12-10-18)25-16-17(2)3/h5-12,17,22H,4,13-16H2,1-3H3
InChIKeyGWAWTVDJQZBFOO-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.75
Rot. Bonds11

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

2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline (PubChem CID 54801824) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
PubChem CID54801824
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCCOCCOc1ccccc1NCc1ccc(OCC(C)C)cc1
InChIInChI=1S/C21H29NO3/c1-4-23-13-14-24-21-8-6-5-7-20(21)22-15-18-9-11-19(12-10-18)25-16-17(2)3/h5-12,17,22H,4,13-16H2,1-3H3
InChIKeyGWAWTVDJQZBFOO-UHFFFAOYSA-N
XLogP4.75
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.75
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-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54798124
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-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801301
2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline
CID 54801750
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801303
2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54801716
2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 39372728
2-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800021
2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline
CID 54801770
2-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54801773

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
The IUPAC name of 2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline (CID 54801824) is 2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline is CCOCCOc1ccccc1NCc1ccc(OCC(C)C)cc1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
The InChIKey is GWAWTVDJQZBFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-4-23-13-14-24-21-8-6-5-7-20(21)22-15-18-9-11-19(12-10-18)25-16-17(2)3/h5-12,17,22H,4,13-16H2,1-3H3.
What are the key properties of 2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline has a molecular weight of 343.47 g/mol, XLogP of 4.75, 11 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-(2-methylpropoxy)phenyl]methyl]aniline is sourced from PubChem (CID 54801824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).