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

C19H25NO3 — CID 54797999

IUPAC2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
SMILESCCOCCOc1ccc(CNc2ccccc2OCC)cc1
InChIInChI=1S/C19H25NO3/c1-3-21-13-14-23-17-11-9-16(10-12-17)15-20-18-7-5-6-8-19(18)22-4-2/h5-12,20H,3-4,13-15H2,1-2H3
InChIKeyDWVUNABNPYIKQP-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.11
Rot. Bonds10

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

2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline (PubChem CID 54797999) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
PubChem CID54797999
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
SMILESCCOCCOc1ccc(CNc2ccccc2OCC)cc1
InChIInChI=1S/C19H25NO3/c1-3-21-13-14-23-17-11-9-16(10-12-17)15-20-18-7-5-6-8-19(18)22-4-2/h5-12,20H,3-4,13-15H2,1-2H3
InChIKeyDWVUNABNPYIKQP-UHFFFAOYSA-N
XLogP4.11
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.11
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-(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-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54801824
2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54801716
2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54798124
2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54798109
N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline
CID 54801070
3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54802163
3-(2-ethoxyethoxy)-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802106
2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline
CID 54801770

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline?
The IUPAC name of 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline (CID 54797999) is 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline is CCOCCOc1ccc(CNc2ccccc2OCC)cc1.
What is the InChIKey of 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline?
The InChIKey is DWVUNABNPYIKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-21-13-14-23-17-11-9-16(10-12-17)15-20-18-7-5-6-8-19(18)22-4-2/h5-12,20H,3-4,13-15H2,1-2H3.
What are the key properties of 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline?
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline has a molecular weight of 315.41 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 54797999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).