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

C14H22N2O — CID 62476969

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine
SMILESCOCCC(N)CN1CCCc2ccccc21
InChIInChI=1S/C14H22N2O/c1-17-10-8-13(15)11-16-9-4-6-12-5-2-3-7-14(12)16/h2-3,5,7,13H,4,6,8-11,15H2,1H3
InChIKeyABTGADOLLPZXTA-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.80
Rot. Bonds5

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

1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine (PubChem CID 62476969) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine
PubChem CID62476969
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine
SMILESCOCCC(N)CN1CCCc2ccccc21
InChIInChI=1S/C14H22N2O/c1-17-10-8-13(15)11-16-9-4-6-12-5-2-3-7-14(12)16/h2-3,5,7,13H,4,6,8-11,15H2,1H3
InChIKeyABTGADOLLPZXTA-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-amine
CID 81101379
1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine
CID 114929496
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine
CID 55080824
(2S)-1-(2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-2-amine
CID 22689711
1-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-amine
CID 81102110
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991698
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 54806928
4-(3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454044
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one
CID 107507115
(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol
CID 92532372
1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 16790029

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine (CID 62476969) is 1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine is COCCC(N)CN1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine?
The InChIKey is ABTGADOLLPZXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-10-8-13(15)11-16-9-4-6-12-5-2-3-7-14(12)16/h2-3,5,7,13H,4,6,8-11,15H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine?
1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine has a molecular weight of 234.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine is sourced from PubChem (CID 62476969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).