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

C25H32N2O — CID 11740280

IUPACN-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C25H32N2O/c1-3-16-27(17-6-8-20-7-4-5-9-25(20)28-2)21-12-10-19-11-13-24-22(14-15-26-24)23(19)18-21/h4-5,7,9,11,13-15,21,26H,3,6,8,10,12,16-18H2,1-2H3
InChIKeyAAYJEWYLPYARLE-UHFFFAOYSA-N
MW376.54 g/mol
LogP5.38
Rot. Bonds8

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

N-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (PubChem CID 11740280) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
PubChem CID11740280
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC NameN-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C25H32N2O/c1-3-16-27(17-6-8-20-7-4-5-9-25(20)28-2)21-12-10-19-11-13-24-22(14-15-26-24)23(19)18-21/h4-5,7,9,11,13-15,21,26H,3,6,8,10,12,16-18H2,1-2H3
InChIKeyAAYJEWYLPYARLE-UHFFFAOYSA-N
XLogP5.38
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The IUPAC name of N-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (CID 11740280) is N-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.
What is the SMILES notation for N-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The canonical SMILES for N-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]ccc3c2C1.
What is the InChIKey of N-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The InChIKey is AAYJEWYLPYARLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-3-16-27(17-6-8-20-7-4-5-9-25(20)28-2)21-12-10-19-11-13-24-22(14-15-26-24)23(19)18-21/h4-5,7,9,11,13-15,21,26H,3,6,8,10,12,16-18H2,1-2H3.
What are the key properties of N-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
N-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine has a molecular weight of 376.54 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is sourced from PubChem (CID 11740280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).