1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine

C20H26N2O — CID 39448729

IUPAC1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine
SMILESCC(C)(C)c1cccc(OCCN2CCc3ccc(N)cc32)c1
InChIInChI=1S/C20H26N2O/c1-20(2,3)16-5-4-6-18(13-16)23-12-11-22-10-9-15-7-8-17(21)14-19(15)22/h4-8,13-14H,9-12,21H2,1-3H3
InChIKeyJJNXPMGIDLNKFK-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.01
Rot. Bonds4

About 1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine

1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine (PubChem CID 39448729) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine
PubChem CID39448729
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine
SMILESCC(C)(C)c1cccc(OCCN2CCc3ccc(N)cc32)c1
InChIInChI=1S/C20H26N2O/c1-20(2,3)16-5-4-6-18(13-16)23-12-11-22-10-9-15-7-8-17(21)14-19(15)22/h4-8,13-14H,9-12,21H2,1-3H3
InChIKeyJJNXPMGIDLNKFK-UHFFFAOYSA-N
XLogP4.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.01
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

1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine
CID 39456546
1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine
CID 43457237
1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine
CID 39415427
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine
CID 103180351
5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine
CID 83212872
1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine
CID 89221880
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine
CID 39440870
1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one
CID 59174585
1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-2,3-dihydroindol-6-amine
CID 88907206
1-tert-butyl-4-[3-(3-tert-butylphenoxy)propyl]piperazine
CID 135165094
1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine
CID 54961512

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine (CID 39448729) is 1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine is CC(C)(C)c1cccc(OCCN2CCc3ccc(N)cc32)c1.
What is the InChIKey of 1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine?
The InChIKey is JJNXPMGIDLNKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-20(2,3)16-5-4-6-18(13-16)23-12-11-22-10-9-15-7-8-17(21)14-19(15)22/h4-8,13-14H,9-12,21H2,1-3H3.
What are the key properties of 1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine?
1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine has a molecular weight of 310.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 39448729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).