2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine

C18H28N2 — CID 82746306

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine
SMILESCCNC(CN1CCC2CCCCC21)c1ccccc1
InChIInChI=1S/C18H28N2/c1-2-19-17(15-8-4-3-5-9-15)14-20-13-12-16-10-6-7-11-18(16)20/h3-5,8-9,16-19H,2,6-7,10-14H2,1H3
InChIKeyWQYUHERIFZRQIG-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.60
Rot. Bonds5

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine (PubChem CID 82746306) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine
PubChem CID82746306
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine
SMILESCCNC(CN1CCC2CCCCC21)c1ccccc1
InChIInChI=1S/C18H28N2/c1-2-19-17(15-8-4-3-5-9-15)14-20-13-12-16-10-6-7-11-18(16)20/h3-5,8-9,16-19H,2,6-7,10-14H2,1H3
InChIKeyWQYUHERIFZRQIG-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-2-phenylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750262
(1S)-2-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-phenylethanethiol
CID 10824407
N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495170
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine
CID 57173334
3-(2-cyclopentylpyrrolidin-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 62617910
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 82752329
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyl-1-phenylethanamine
CID 63149781
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine
CID 63912128
2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine
CID 63468213
1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one
CID 104680044
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methylbutan-2-amine
CID 82747657

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine (CID 82746306) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine is CCNC(CN1CCC2CCCCC21)c1ccccc1.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine?
The InChIKey is WQYUHERIFZRQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-19-17(15-8-4-3-5-9-15)14-20-13-12-16-10-6-7-11-18(16)20/h3-5,8-9,16-19H,2,6-7,10-14H2,1H3.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine has a molecular weight of 272.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine is sourced from PubChem (CID 82746306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).