2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine

C15H24N2O — CID 114107388

IUPAC2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine
SMILESCCOc1cc(NCC2(CC)CCC2)ccc1N
InChIInChI=1S/C15H24N2O/c1-3-15(8-5-9-15)11-17-12-6-7-13(16)14(10-12)18-4-2/h6-7,10,17H,3-5,8-9,11,16H2,1-2H3
InChIKeyZANVEILKJXJAQD-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.66
Rot. Bonds6

About 2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine

2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine (PubChem CID 114107388) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine
PubChem CID114107388
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine
SMILESCCOc1cc(NCC2(CC)CCC2)ccc1N
InChIInChI=1S/C15H24N2O/c1-3-15(8-5-9-15)11-17-12-6-7-13(16)14(10-12)18-4-2/h6-7,10,17H,3-5,8-9,11,16H2,1-2H3
InChIKeyZANVEILKJXJAQD-UHFFFAOYSA-N
XLogP3.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.66
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

4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine
CID 104759004
4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine
CID 113478541
N-[(1-ethylcyclobutyl)methyl]-3-methoxy-4-nitroaniline
CID 103741814
2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 63671672
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664
2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 55232740
4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
CID 63670946
2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine
CID 55233551
2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol
CID 55232564
4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethoxybenzene-1,4-diamine
CID 81038675
2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 63669948

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine (CID 114107388) is 2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine is CCOc1cc(NCC2(CC)CCC2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine?
The InChIKey is ZANVEILKJXJAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-15(8-5-9-15)11-17-12-6-7-13(16)14(10-12)18-4-2/h6-7,10,17H,3-5,8-9,11,16H2,1-2H3.
What are the key properties of 2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine?
2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 114107388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).