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

C19H24N2O — CID 39415427

IUPAC1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine
SMILESCc1ccc(C)c(OCCN2CCc3ccc(N)cc32)c1C
InChIInChI=1S/C19H24N2O/c1-13-4-5-14(2)19(15(13)3)22-11-10-21-9-8-16-6-7-17(20)12-18(16)21/h4-7,12H,8-11,20H2,1-3H3
InChIKeyYZTMZAWZCHFIJR-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.64
Rot. Bonds4

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

1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine (PubChem CID 39415427) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine
PubChem CID39415427
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine
SMILESCc1ccc(C)c(OCCN2CCc3ccc(N)cc32)c1C
InChIInChI=1S/C19H24N2O/c1-13-4-5-14(2)19(15(13)3)22-11-10-21-9-8-16-6-7-17(20)12-18(16)21/h4-7,12H,8-11,20H2,1-3H3
InChIKeyYZTMZAWZCHFIJR-UHFFFAOYSA-N
XLogP3.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.64
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-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine
CID 39448729
1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine
CID 103180351
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine
CID 39440870
1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine
CID 54961512
1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine
CID 89221880
1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-2,3-dihydroindol-6-amine
CID 88907206
5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine
CID 83212872
1-[4-(2,3,6-trimethylphenoxy)butyl]aziridine
CID 125464384
1-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-2,3-dihydroindol-6-amine;chloride;hydrochloride
CID 67416859
1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 29080631

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine (CID 39415427) is 1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine is Cc1ccc(C)c(OCCN2CCc3ccc(N)cc32)c1C.
What is the InChIKey of 1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine?
The InChIKey is YZTMZAWZCHFIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-13-4-5-14(2)19(15(13)3)22-11-10-21-9-8-16-6-7-17(20)12-18(16)21/h4-7,12H,8-11,20H2,1-3H3.
What are the key properties of 1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine?
1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine has a molecular weight of 296.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 39415427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).