4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine

C15H24N2O — CID 117374655

IUPAC4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine
SMILESCOc1c(CCCCN)ccc2c1CCCN2C
InChIInChI=1S/C15H24N2O/c1-17-11-5-7-13-14(17)9-8-12(15(13)18-2)6-3-4-10-16/h8-9H,3-7,10-11,16H2,1-2H3
InChIKeyQQEJFJKLOKIYNP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.36
Rot. Bonds5

About 4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine

4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine (PubChem CID 117374655) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine
PubChem CID117374655
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine
SMILESCOc1c(CCCCN)ccc2c1CCCN2C
InChIInChI=1S/C15H24N2O/c1-17-11-5-7-13-14(17)9-8-12(15(13)18-2)6-3-4-10-16/h8-9H,3-7,10-11,16H2,1-2H3
InChIKeyQQEJFJKLOKIYNP-UHFFFAOYSA-N
XLogP2.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 84674503
N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine
CID 117318550
1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol
CID 117338640
[5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117467828
2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 117282550
ethyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate
CID 117447810
4-(4-methoxy-1-methylindol-5-yl)butan-1-amine
CID 117336846
methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate
CID 117417057
2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoacetic acid
CID 117375678
6-(aminooxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol
CID 117297783
4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117408497
3-(4-aminobutyl)-2-methoxyphenol
CID 117285526

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine?
The IUPAC name of 4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine (CID 117374655) is 4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine.
What is the SMILES notation for 4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine?
The canonical SMILES for 4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine is COc1c(CCCCN)ccc2c1CCCN2C.
What is the InChIKey of 4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine?
The InChIKey is QQEJFJKLOKIYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17-11-5-7-13-14(17)9-8-12(15(13)18-2)6-3-4-10-16/h8-9H,3-7,10-11,16H2,1-2H3.
What are the key properties of 4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine?
4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine is sourced from PubChem (CID 117374655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).