1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol

C16H26N2O2 — CID 107264145

IUPAC1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CN1CCCc2c(N)cccc21
InChIInChI=1S/C16H26N2O2/c1-2-3-10-20-12-13(19)11-18-9-5-6-14-15(17)7-4-8-16(14)18/h4,7-8,13,19H,2-3,5-6,9-12,17H2,1H3
InChIKeyZSXKEQCOBHITAD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.20
Rot. Bonds7

About 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol

1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol (PubChem CID 107264145) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol.

Molecular Properties

Compound Name1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol
PubChem CID107264145
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CN1CCCc2c(N)cccc21
InChIInChI=1S/C16H26N2O2/c1-2-3-10-20-12-13(19)11-18-9-5-6-14-15(17)7-4-8-16(14)18/h4,7-8,13,19H,2-3,5-6,9-12,17H2,1H3
InChIKeyZSXKEQCOBHITAD-UHFFFAOYSA-N
XLogP2.20
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol
CID 107264180
1-butyl-3,4-dihydro-2H-quinolin-5-amine
CID 60972612
1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine
CID 61491630
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol
CID 143232672
1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 106990763
2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile
CID 114266629
1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 3482388
2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 61489284
1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-quinolin-5-amine
CID 60971754
1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine
CID 115777493
(2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol
CID 86815269
1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 106454610

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol?
The IUPAC name of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol (CID 107264145) is 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol.
What is the SMILES notation for 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol?
The canonical SMILES for 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol is CCCCOCC(O)CN1CCCc2c(N)cccc21.
What is the InChIKey of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol?
The InChIKey is ZSXKEQCOBHITAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-3-10-20-12-13(19)11-18-9-5-6-14-15(17)7-4-8-16(14)18/h4,7-8,13,19H,2-3,5-6,9-12,17H2,1H3.
What are the key properties of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol?
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol is sourced from PubChem (CID 107264145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).