2-[(2-ethoxyanilino)methyl]aniline

C15H18N2O — CID 66385823

IUPAC2-[(2-ethoxyanilino)methyl]aniline
SMILESCCOc1ccccc1NCc1ccccc1N
InChIInChI=1S/C15H18N2O/c1-2-18-15-10-6-5-9-14(15)17-11-12-7-3-4-8-13(12)16/h3-10,17H,2,11,16H2,1H3
InChIKeyWCACBCDXCLSTLL-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.28
Rot. Bonds5

About 2-[(2-ethoxyanilino)methyl]aniline

2-[(2-ethoxyanilino)methyl]aniline (PubChem CID 66385823) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(2-ethoxyanilino)methyl]aniline.

Molecular Properties

Compound Name2-[(2-ethoxyanilino)methyl]aniline
PubChem CID66385823
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[(2-ethoxyanilino)methyl]aniline
SMILESCCOc1ccccc1NCc1ccccc1N
InChIInChI=1S/C15H18N2O/c1-2-18-15-10-6-5-9-14(15)17-11-12-7-3-4-8-13(12)16/h3-10,17H,2,11,16H2,1H3
InChIKeyWCACBCDXCLSTLL-UHFFFAOYSA-N
XLogP3.28
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 66418425
N-[(2-ethoxyphenyl)methyl]-2-iodoaniline
CID 28878592
2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54801593
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
2-ethoxy-N-(quinolin-8-ylmethyl)aniline
CID 28612848
3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile
CID 55128443
[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 66419817
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408609
2-[(2-ethoxyanilino)methyl]-4-methylphenol
CID 63323369
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
3-(2-ethoxyanilino)propanamide
CID 43131857

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyanilino)methyl]aniline?
The IUPAC name of 2-[(2-ethoxyanilino)methyl]aniline (CID 66385823) is 2-[(2-ethoxyanilino)methyl]aniline.
What is the SMILES notation for 2-[(2-ethoxyanilino)methyl]aniline?
The canonical SMILES for 2-[(2-ethoxyanilino)methyl]aniline is CCOc1ccccc1NCc1ccccc1N.
What is the InChIKey of 2-[(2-ethoxyanilino)methyl]aniline?
The InChIKey is WCACBCDXCLSTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-18-15-10-6-5-9-14(15)17-11-12-7-3-4-8-13(12)16/h3-10,17H,2,11,16H2,1H3.
What are the key properties of 2-[(2-ethoxyanilino)methyl]aniline?
2-[(2-ethoxyanilino)methyl]aniline has a molecular weight of 242.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyanilino)methyl]aniline is sourced from PubChem (CID 66385823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).