4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline

C20H22N2O — CID 141210533

IUPAC4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline
SMILESCCOc1ccc2cc(-c3ccc(N)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C20H22N2O/c1-2-23-18-11-8-15-12-19(14-6-9-16(21)10-7-14)22(20(15)13-18)17-4-3-5-17/h6-13,17H,2-5,21H2,1H3
InChIKeyVECXXOGTNYNVGZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.01
Rot. Bonds4

About 4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline

4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline (PubChem CID 141210533) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline.

Molecular Properties

Compound Name4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline
PubChem CID141210533
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline
SMILESCCOc1ccc2cc(-c3ccc(N)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C20H22N2O/c1-2-23-18-11-8-15-12-19(14-6-9-16(21)10-7-14)22(20(15)13-18)17-4-3-5-17/h6-13,17H,2-5,21H2,1H3
InChIKeyVECXXOGTNYNVGZ-UHFFFAOYSA-N
XLogP5.01
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.01
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-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)aniline
CID 59425592
2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine
CID 89344162
4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline
CID 89344158
2-(4-aminophenyl)-1-cyclopentyl-6-ethoxyindole-3-carbonitrile;ethane;propyl formate
CID 143510951
[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone
CID 71176585
1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70844556
N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844247
1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea
CID 70844229
oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70805428
cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate
CID 70805302
cyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate
CID 70844167
propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate
CID 91350018

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline?
The IUPAC name of 4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline (CID 141210533) is 4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline.
What is the SMILES notation for 4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline?
The canonical SMILES for 4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline is CCOc1ccc2cc(-c3ccc(N)cc3)n(C3CCC3)c2c1.
What is the InChIKey of 4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline?
The InChIKey is VECXXOGTNYNVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-23-18-11-8-15-12-19(14-6-9-16(21)10-7-14)22(20(15)13-18)17-4-3-5-17/h6-13,17H,2-5,21H2,1H3.
What are the key properties of 4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline?
4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline has a molecular weight of 306.41 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline is sourced from PubChem (CID 141210533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).