2-(2-cyclobutylethoxy)-4-methoxyaniline

C13H19NO2 — CID 106199765

IUPAC2-(2-cyclobutylethoxy)-4-methoxyaniline
SMILESCOc1ccc(N)c(OCCC2CCC2)c1
InChIInChI=1S/C13H19NO2/c1-15-11-5-6-12(14)13(9-11)16-8-7-10-3-2-4-10/h5-6,9-10H,2-4,7-8,14H2,1H3
InChIKeyGKOMILCQEJYGMU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.85
Rot. Bonds5

About 2-(2-cyclobutylethoxy)-4-methoxyaniline

2-(2-cyclobutylethoxy)-4-methoxyaniline (PubChem CID 106199765) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-4-methoxyaniline.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-4-methoxyaniline
PubChem CID106199765
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(2-cyclobutylethoxy)-4-methoxyaniline
SMILESCOc1ccc(N)c(OCCC2CCC2)c1
InChIInChI=1S/C13H19NO2/c1-15-11-5-6-12(14)13(9-11)16-8-7-10-3-2-4-10/h5-6,9-10H,2-4,7-8,14H2,1H3
InChIKeyGKOMILCQEJYGMU-UHFFFAOYSA-N
XLogP2.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-cyclopropylethoxy)-2-ethoxyaniline
CID 106199653
2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene
CID 114191425
methyl 4-amino-3-(2-cyclopentylethoxy)benzoate
CID 114191521
2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene
CID 104707383
4-methoxy-2-(4,4,4-trifluorobutoxy)aniline
CID 82788711
5-(2-amino-5-methoxyphenoxy)pentan-1-ol
CID 102702306
[2-(2-cyclopropylethoxy)-5-methoxyphenyl]boronic acid
CID 104706134
2-(2-cyclobutylethoxy)-5-iodoaniline
CID 106199721
4-(cyclopentylmethoxy)-2-ethoxyaniline
CID 66324490
3-(2-amino-5-methoxyphenoxy)propanoic acid
CID 102702334
2-amino-5-(2-cyclobutylethoxy)benzoic acid
CID 106203443
2-(cyclobutylmethylsulfanyl)-4-methoxyaniline
CID 79518188

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-4-methoxyaniline?
The IUPAC name of 2-(2-cyclobutylethoxy)-4-methoxyaniline (CID 106199765) is 2-(2-cyclobutylethoxy)-4-methoxyaniline.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-4-methoxyaniline?
The canonical SMILES for 2-(2-cyclobutylethoxy)-4-methoxyaniline is COc1ccc(N)c(OCCC2CCC2)c1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-4-methoxyaniline?
The InChIKey is GKOMILCQEJYGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-11-5-6-12(14)13(9-11)16-8-7-10-3-2-4-10/h5-6,9-10H,2-4,7-8,14H2,1H3.
What are the key properties of 2-(2-cyclobutylethoxy)-4-methoxyaniline?
2-(2-cyclobutylethoxy)-4-methoxyaniline has a molecular weight of 221.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-4-methoxyaniline is sourced from PubChem (CID 106199765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).