1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine

C18H22N2O — CID 102661495

IUPAC1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine
SMILESCC(N)c1ccc2c(c1)CCN2CCOc1ccccc1
InChIInChI=1S/C18H22N2O/c1-14(19)15-7-8-18-16(13-15)9-10-20(18)11-12-21-17-5-3-2-4-6-17/h2-8,13-14H,9-12,19H2,1H3
InChIKeyRFDJRQXWZMPZNX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.15
Rot. Bonds5

About 1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine

1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 102661495) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine
PubChem CID102661495
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine
SMILESCC(N)c1ccc2c(c1)CCN2CCOc1ccccc1
InChIInChI=1S/C18H22N2O/c1-14(19)15-7-8-18-16(13-15)9-10-20(18)11-12-21-17-5-3-2-4-6-17/h2-8,13-14H,9-12,19H2,1H3
InChIKeyRFDJRQXWZMPZNX-UHFFFAOYSA-N
XLogP3.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine
CID 83212872
1-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindol-5-yl]ethanamine
CID 103408871
1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661581
1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 106449096
1-[1-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661928
1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661613
1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661602
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907
1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661900
1-[1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661895
1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117
1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661459

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of 1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine (CID 102661495) is 1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine is CC(N)c1ccc2c(c1)CCN2CCOc1ccccc1.
What is the InChIKey of 1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is RFDJRQXWZMPZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(19)15-7-8-18-16(13-15)9-10-20(18)11-12-21-17-5-3-2-4-6-17/h2-8,13-14H,9-12,19H2,1H3.
What are the key properties of 1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine?
1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 282.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 102661495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).