3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline

C14H21NO2 — CID 104860047

IUPAC3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline
SMILESCCOc1cc(NC2CC(C)C2)ccc1OC
InChIInChI=1S/C14H21NO2/c1-4-17-14-9-11(5-6-13(14)16-3)15-12-7-10(2)8-12/h5-6,9-10,12,15H,4,7-8H2,1-3H3
InChIKeyRNIILUAWXKZHEN-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.30
Rot. Bonds5

About 3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline

3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline (PubChem CID 104860047) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline
PubChem CID104860047
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline
SMILESCCOc1cc(NC2CC(C)C2)ccc1OC
InChIInChI=1S/C14H21NO2/c1-4-17-14-9-11(5-6-13(14)16-3)15-12-7-10(2)8-12/h5-6,9-10,12,15H,4,7-8H2,1-3H3
InChIKeyRNIILUAWXKZHEN-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
3-chloro-4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104860046
N-(3-ethoxy-4-methoxyphenyl)-5-methylthiolan-3-amine
CID 79941817
4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
CID 106594039
N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658448
N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070278
3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine
CID 79461999
4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104859963
[2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol
CID 64500267
N-(3-ethoxy-4-methoxyphenyl)-4,4-dimethylthian-3-amine
CID 79948684
N-(4-ethoxy-3-methoxyphenyl)-2-methyloxolan-3-amine
CID 82726780
N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43717361

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline?
The IUPAC name of 3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline (CID 104860047) is 3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline?
The canonical SMILES for 3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline is CCOc1cc(NC2CC(C)C2)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline?
The InChIKey is RNIILUAWXKZHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-17-14-9-11(5-6-13(14)16-3)15-12-7-10(2)8-12/h5-6,9-10,12,15H,4,7-8H2,1-3H3.
What are the key properties of 3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline?
3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline has a molecular weight of 235.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline is sourced from PubChem (CID 104860047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).