N-(2-phenylethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

C23H28N2 — CID 10449461

IUPACN-(2-phenylethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCN(CCc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C23H28N2/c1-2-15-25(16-13-18-6-4-3-5-7-18)20-10-8-19-9-11-23-21(12-14-24-23)22(19)17-20/h3-7,9,11-12,14,20,24H,2,8,10,13,15-17H2,1H3
InChIKeyWUEDXQPULXUQHI-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.98
Rot. Bonds6

About N-(2-phenylethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

N-(2-phenylethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (PubChem CID 10449461) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(2-phenylethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
PubChem CID10449461
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC NameN-(2-phenylethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCN(CCc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C23H28N2/c1-2-15-25(16-13-18-6-4-3-5-7-18)20-10-8-19-9-11-23-21(12-14-24-23)22(19)17-20/h3-7,9,11-12,14,20,24H,2,8,10,13,15-17H2,1H3
InChIKeyWUEDXQPULXUQHI-UHFFFAOYSA-N
XLogP4.98
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Skatole
CID 6736
Ergometrine
CID 443884
(+)-Lysergic acid diethylamide
CID 5761
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Pergolide
CID 47811
Lysergic acid amide
CID 442072
Lisuride
CID 28864
Terguride
CID 443951
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The IUPAC name of N-(2-phenylethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (CID 10449461) is N-(2-phenylethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.
What is the SMILES notation for N-(2-phenylethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The canonical SMILES for N-(2-phenylethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is CCCN(CCc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1.
What is the InChIKey of N-(2-phenylethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The InChIKey is WUEDXQPULXUQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-2-15-25(16-13-18-6-4-3-5-7-18)20-10-8-19-9-11-23-21(12-14-24-23)22(19)17-20/h3-7,9,11-12,14,20,24H,2,8,10,13,15-17H2,1H3.
What are the key properties of N-(2-phenylethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
N-(2-phenylethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine has a molecular weight of 332.49 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is sourced from PubChem (CID 10449461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).