8-[2-phenylethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde

C24H28N2O — CID 10021450

IUPAC8-[2-phenylethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C24H28N2O/c1-2-13-26(14-12-18-6-4-3-5-7-18)21-10-8-19-9-11-23-24(22(19)15-21)20(17-27)16-25-23/h3-7,9,11,16-17,21,25H,2,8,10,12-15H2,1H3
InChIKeyGVFSLSBQCUQRBA-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.79
Rot. Bonds7

About 8-[2-phenylethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde

8-[2-phenylethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (PubChem CID 10021450) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 8-[2-phenylethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.

Molecular Properties

Compound Name8-[2-phenylethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
PubChem CID10021450
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name8-[2-phenylethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C24H28N2O/c1-2-13-26(14-12-18-6-4-3-5-7-18)21-10-8-19-9-11-23-24(22(19)15-21)20(17-27)16-25-23/h3-7,9,11,16-17,21,25H,2,8,10,12-15H2,1H3
InChIKeyGVFSLSBQCUQRBA-UHFFFAOYSA-N
XLogP4.79
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[2-phenylethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The IUPAC name of 8-[2-phenylethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (CID 10021450) is 8-[2-phenylethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.
What is the SMILES notation for 8-[2-phenylethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The canonical SMILES for 8-[2-phenylethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1.
What is the InChIKey of 8-[2-phenylethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The InChIKey is GVFSLSBQCUQRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-2-13-26(14-12-18-6-4-3-5-7-18)21-10-8-19-9-11-23-24(22(19)15-21)20(17-27)16-25-23/h3-7,9,11,16-17,21,25H,2,8,10,12-15H2,1H3.
What are the key properties of 8-[2-phenylethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
8-[2-phenylethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde has a molecular weight of 360.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-phenylethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is sourced from PubChem (CID 10021450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).