1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine

C18H22N2 — CID 61359358

IUPAC1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine
SMILESNc1cccc2c1N(CCCc1ccccc1)CCC2
InChIInChI=1S/C18H22N2/c19-17-12-4-10-16-11-6-14-20(18(16)17)13-5-9-15-7-2-1-3-8-15/h1-4,7-8,10,12H,5-6,9,11,13-14,19H2
InChIKeyOPGVAWAIQYADOO-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.65
Rot. Bonds4

About 1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine

1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine (PubChem CID 61359358) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine.

Molecular Properties

Compound Name1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine
PubChem CID61359358
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine
SMILESNc1cccc2c1N(CCCc1ccccc1)CCC2
InChIInChI=1S/C18H22N2/c19-17-12-4-10-16-11-6-14-20(18(16)17)13-5-9-15-7-2-1-3-8-15/h1-4,7-8,10,12H,5-6,9,11,13-14,19H2
InChIKeyOPGVAWAIQYADOO-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine?
The IUPAC name of 1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine (CID 61359358) is 1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine.
What is the SMILES notation for 1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine?
The canonical SMILES for 1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine is Nc1cccc2c1N(CCCc1ccccc1)CCC2.
What is the InChIKey of 1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine?
The InChIKey is OPGVAWAIQYADOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-17-12-4-10-16-11-6-14-20(18(16)17)13-5-9-15-7-2-1-3-8-15/h1-4,7-8,10,12H,5-6,9,11,13-14,19H2.
What are the key properties of 1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine?
1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine has a molecular weight of 266.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine is sourced from PubChem (CID 61359358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).