3-ethoxy-5-(3-methylbutan-2-yloxy)aniline

C13H21NO2 — CID 80748959

IUPAC3-ethoxy-5-(3-methylbutan-2-yloxy)aniline
SMILESCCOc1cc(N)cc(OC(C)C(C)C)c1
InChIInChI=1S/C13H21NO2/c1-5-15-12-6-11(14)7-13(8-12)16-10(4)9(2)3/h6-10H,5,14H2,1-4H3
InChIKeyWNNHLQCUQQAVPI-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.09
Rot. Bonds5

About 3-ethoxy-5-(3-methylbutan-2-yloxy)aniline

3-ethoxy-5-(3-methylbutan-2-yloxy)aniline (PubChem CID 80748959) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-ethoxy-5-(3-methylbutan-2-yloxy)aniline.

Molecular Properties

Compound Name3-ethoxy-5-(3-methylbutan-2-yloxy)aniline
PubChem CID80748959
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-ethoxy-5-(3-methylbutan-2-yloxy)aniline
SMILESCCOc1cc(N)cc(OC(C)C(C)C)c1
InChIInChI=1S/C13H21NO2/c1-5-15-12-6-11(14)7-13(8-12)16-10(4)9(2)3/h6-10H,5,14H2,1-4H3
InChIKeyWNNHLQCUQQAVPI-UHFFFAOYSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.09
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

3,5-diethoxyaniline
CID 22605063
3-ethoxy-5-methylaniline
CID 67863452
3-(3-methylbutan-2-yloxy)-5-(trifluoromethyl)aniline
CID 82995171
3-(cyclohexylmethoxy)-5-ethoxyaniline
CID 80748419
3-(2-ethylbutoxy)-5-propan-2-yloxyaniline
CID 114208247
3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline
CID 82954400
3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
CID 81091071
2-(3-amino-5-ethoxyanilino)-3-methylbutanamide
CID 114176141
3-ethoxy-5-pyridin-3-yloxyaniline
CID 80748740
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-propoxyaniline
CID 102721621
2,6-dibromo-4-ethoxyaniline
CID 14043930
3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102903247

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-(3-methylbutan-2-yloxy)aniline?
The IUPAC name of 3-ethoxy-5-(3-methylbutan-2-yloxy)aniline (CID 80748959) is 3-ethoxy-5-(3-methylbutan-2-yloxy)aniline.
What is the SMILES notation for 3-ethoxy-5-(3-methylbutan-2-yloxy)aniline?
The canonical SMILES for 3-ethoxy-5-(3-methylbutan-2-yloxy)aniline is CCOc1cc(N)cc(OC(C)C(C)C)c1.
What is the InChIKey of 3-ethoxy-5-(3-methylbutan-2-yloxy)aniline?
The InChIKey is WNNHLQCUQQAVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-15-12-6-11(14)7-13(8-12)16-10(4)9(2)3/h6-10H,5,14H2,1-4H3.
What are the key properties of 3-ethoxy-5-(3-methylbutan-2-yloxy)aniline?
3-ethoxy-5-(3-methylbutan-2-yloxy)aniline has a molecular weight of 223.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(3-methylbutan-2-yloxy)aniline is sourced from PubChem (CID 80748959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).