3-[(3-ethoxyanilino)methyl]aniline

C15H18N2O — CID 83961381

IUPAC3-[(3-ethoxyanilino)methyl]aniline
SMILESCCOc1cccc(NCc2cccc(N)c2)c1
InChIInChI=1S/C15H18N2O/c1-2-18-15-8-4-7-14(10-15)17-11-12-5-3-6-13(16)9-12/h3-10,17H,2,11,16H2,1H3
InChIKeyRATWQYGNPPWSFD-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.28
Rot. Bonds5

About 3-[(3-ethoxyanilino)methyl]aniline

3-[(3-ethoxyanilino)methyl]aniline (PubChem CID 83961381) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(3-ethoxyanilino)methyl]aniline.

Molecular Properties

Compound Name3-[(3-ethoxyanilino)methyl]aniline
PubChem CID83961381
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-[(3-ethoxyanilino)methyl]aniline
SMILESCCOc1cccc(NCc2cccc(N)c2)c1
InChIInChI=1S/C15H18N2O/c1-2-18-15-8-4-7-14(10-15)17-11-12-5-3-6-13(16)9-12/h3-10,17H,2,11,16H2,1H3
InChIKeyRATWQYGNPPWSFD-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-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine
CID 20542479
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine;hydrochloride
CID 70546095
N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline
CID 115211777
3-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874641
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131
[3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol
CID 107231766
3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 60935106
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
3-ethoxy-N-(2-phenylethyl)aniline
CID 13391245
3-ethoxy-N-propylaniline
CID 54800867

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyanilino)methyl]aniline?
The IUPAC name of 3-[(3-ethoxyanilino)methyl]aniline (CID 83961381) is 3-[(3-ethoxyanilino)methyl]aniline.
What is the SMILES notation for 3-[(3-ethoxyanilino)methyl]aniline?
The canonical SMILES for 3-[(3-ethoxyanilino)methyl]aniline is CCOc1cccc(NCc2cccc(N)c2)c1.
What is the InChIKey of 3-[(3-ethoxyanilino)methyl]aniline?
The InChIKey is RATWQYGNPPWSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-18-15-8-4-7-14(10-15)17-11-12-5-3-6-13(16)9-12/h3-10,17H,2,11,16H2,1H3.
What are the key properties of 3-[(3-ethoxyanilino)methyl]aniline?
3-[(3-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 3-[(3-ethoxyanilino)methyl]aniline is sourced from PubChem (CID 83961381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).