4-cyclobutyloxy-2-ethoxyaniline

C12H17NO2 — CID 63677607

IUPAC4-cyclobutyloxy-2-ethoxyaniline
SMILESCCOc1cc(OC2CCC2)ccc1N
InChIInChI=1S/C12H17NO2/c1-2-14-12-8-10(6-7-11(12)13)15-9-4-3-5-9/h6-9H,2-5,13H2,1H3
InChIKeyRFMZSCADMDFDME-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.60
Rot. Bonds4

About 4-cyclobutyloxy-2-ethoxyaniline

4-cyclobutyloxy-2-ethoxyaniline (PubChem CID 63677607) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-cyclobutyloxy-2-ethoxyaniline.

Molecular Properties

Compound Name4-cyclobutyloxy-2-ethoxyaniline
PubChem CID63677607
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-cyclobutyloxy-2-ethoxyaniline
SMILESCCOc1cc(OC2CCC2)ccc1N
InChIInChI=1S/C12H17NO2/c1-2-14-12-8-10(6-7-11(12)13)15-9-4-3-5-9/h6-9H,2-5,13H2,1H3
InChIKeyRFMZSCADMDFDME-UHFFFAOYSA-N
XLogP2.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-cyclobutyloxy-2-ethoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-4-(oxetan-3-yloxy)aniline
CID 102605509
4-(cyclopentylmethoxy)-2-ethoxyaniline
CID 66324490
4-(2-cyclopropylethoxy)-2-ethoxyaniline
CID 106199653
2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline
CID 155920771
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956
2-ethoxy-4-(oxan-4-ylmethoxy)aniline
CID 63678220
2-ethoxy-4-propoxyaniline
CID 63677806
4-(3,5-dimethylphenoxy)-2-ethoxyaniline
CID 63676933
cyclopentyl 4-amino-3-ethoxybenzoate
CID 82057553
2-(aminomethyl)-4-cyclopentyloxyaniline
CID 82507186
ethyl 2-amino-5-cyclohexyloxybenzoate
CID 61312279
2-ethoxy-4-pentoxyaniline
CID 63678215

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-2-ethoxyaniline?
The IUPAC name of 4-cyclobutyloxy-2-ethoxyaniline (CID 63677607) is 4-cyclobutyloxy-2-ethoxyaniline.
What is the SMILES notation for 4-cyclobutyloxy-2-ethoxyaniline?
The canonical SMILES for 4-cyclobutyloxy-2-ethoxyaniline is CCOc1cc(OC2CCC2)ccc1N.
What is the InChIKey of 4-cyclobutyloxy-2-ethoxyaniline?
The InChIKey is RFMZSCADMDFDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-14-12-8-10(6-7-11(12)13)15-9-4-3-5-9/h6-9H,2-5,13H2,1H3.
What are the key properties of 4-cyclobutyloxy-2-ethoxyaniline?
4-cyclobutyloxy-2-ethoxyaniline has a molecular weight of 207.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-2-ethoxyaniline is sourced from PubChem (CID 63677607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).