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

C19H24N2 — CID 114332852

IUPAC1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine
SMILESNC1CCN(CCCCc2ccccc2)c2ccccc21
InChIInChI=1S/C19H24N2/c20-18-13-15-21(19-12-5-4-11-17(18)19)14-7-6-10-16-8-2-1-3-9-16/h1-5,8-9,11-12,18H,6-7,10,13-15,20H2
InChIKeyZNMALDIZSQEXQW-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.92
Rot. Bonds5

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

1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 114332852) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine
PubChem CID114332852
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine
SMILESNC1CCN(CCCCc2ccccc2)c2ccccc21
InChIInChI=1S/C19H24N2/c20-18-13-15-21(19-12-5-4-11-17(18)19)14-7-6-10-16-8-2-1-3-9-16/h1-5,8-9,11-12,18H,6-7,10,13-15,20H2
InChIKeyZNMALDIZSQEXQW-UHFFFAOYSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-4-amine
CID 83153620
(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one
CID 94237309
(4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol
CID 123223883
1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336060
1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336160
1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine
CID 102662647
(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743
1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine
CID 107899389
3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide
CID 114336013
ethane;1-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 142426417
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059
1,4-dibenzyl-3,4-dihydro-2H-quinoline
CID 3249530

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of 1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine (CID 114332852) is 1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for 1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for 1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine is NC1CCN(CCCCc2ccccc2)c2ccccc21.
What is the InChIKey of 1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is ZNMALDIZSQEXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c20-18-13-15-21(19-12-5-4-11-17(18)19)14-7-6-10-16-8-2-1-3-9-16/h1-5,8-9,11-12,18H,6-7,10,13-15,20H2.
What are the key properties of 1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine?
1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 280.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 114332852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).