3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline

C15H24N2O — CID 63955929

IUPAC3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline
SMILESCCOc1ccc(N)cc1CN(CC)CC1CC1
InChIInChI=1S/C15H24N2O/c1-3-17(10-12-5-6-12)11-13-9-14(16)7-8-15(13)18-4-2/h7-9,12H,3-6,10-11,16H2,1-2H3
InChIKeyARZAEUCZPHFBHJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.90
Rot. Bonds7

About 3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline

3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline (PubChem CID 63955929) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline.

Molecular Properties

Compound Name3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline
PubChem CID63955929
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline
SMILESCCOc1ccc(N)cc1CN(CC)CC1CC1
InChIInChI=1S/C15H24N2O/c1-3-17(10-12-5-6-12)11-13-9-14(16)7-8-15(13)18-4-2/h7-9,12H,3-6,10-11,16H2,1-2H3
InChIKeyARZAEUCZPHFBHJ-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline?
The IUPAC name of 3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline (CID 63955929) is 3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline.
What is the SMILES notation for 3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline?
The canonical SMILES for 3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline is CCOc1ccc(N)cc1CN(CC)CC1CC1.
What is the InChIKey of 3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline?
The InChIKey is ARZAEUCZPHFBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-17(10-12-5-6-12)11-13-9-14(16)7-8-15(13)18-4-2/h7-9,12H,3-6,10-11,16H2,1-2H3.
What are the key properties of 3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline?
3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline has a molecular weight of 248.37 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline is sourced from PubChem (CID 63955929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).