4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine

C14H22N2O — CID 113478541

IUPAC4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine
SMILESCCOc1cc(NCCC2CCC2)ccc1N
InChIInChI=1S/C14H22N2O/c1-2-17-14-10-12(6-7-13(14)15)16-9-8-11-4-3-5-11/h6-7,10-11,16H,2-5,8-9,15H2,1H3
InChIKeyOTTQUVAKNHQXSI-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.27
Rot. Bonds6

About 4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine

4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine (PubChem CID 113478541) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine
PubChem CID113478541
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine
SMILESCCOc1cc(NCCC2CCC2)ccc1N
InChIInChI=1S/C14H22N2O/c1-2-17-14-10-12(6-7-13(14)15)16-9-8-11-4-3-5-11/h6-7,10-11,16H,2-5,8-9,15H2,1H3
InChIKeyOTTQUVAKNHQXSI-UHFFFAOYSA-N
XLogP3.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.27
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-N-(2-cyclopentylethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 63592338
2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 63671672
4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine
CID 106750937
2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 55232740
2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol
CID 55232564
2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine
CID 55233551
4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline
CID 115211522
4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethoxybenzene-1,4-diamine
CID 81038675
2-ethoxy-4-N-[(1-ethylcyclobutyl)methyl]benzene-1,4-diamine
CID 114107388
2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 63676287
4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine
CID 106750865

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine (CID 113478541) is 4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine is CCOc1cc(NCCC2CCC2)ccc1N.
What is the InChIKey of 4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine?
The InChIKey is OTTQUVAKNHQXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-17-14-10-12(6-7-13(14)15)16-9-8-11-4-3-5-11/h6-7,10-11,16H,2-5,8-9,15H2,1H3.
What are the key properties of 4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine?
4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine has a molecular weight of 234.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine is sourced from PubChem (CID 113478541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).