4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol

C16H26N2O2 — CID 106156668

IUPAC4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
SMILESCOCC(CCO)NCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C16H26N2O2/c1-18-8-3-4-14-10-13(5-6-16(14)18)11-17-15(7-9-19)12-20-2/h5-6,10,15,17,19H,3-4,7-9,11-12H2,1-2H3
InChIKeyQRYQIYSSNVVTTJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.56
Rot. Bonds7

About 4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol

4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol (PubChem CID 106156668) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
PubChem CID106156668
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
SMILESCOCC(CCO)NCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C16H26N2O2/c1-18-8-3-4-14-10-13(5-6-16(14)18)11-17-15(7-9-19)12-20-2/h5-6,10,15,17,19H,3-4,7-9,11-12H2,1-2H3
InChIKeyQRYQIYSSNVVTTJ-UHFFFAOYSA-N
XLogP1.56
TPSA44.73 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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol with MolForge

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Related Compounds

3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 114078771
4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol
CID 106349009
(2R)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
CID 113498869
1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 65047506
3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine
CID 62097585
3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol
CID 106114459
6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine
CID 63421316
2,2-dimethoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 62096866
2-fluoro-4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]benzoic acid
CID 106162247
4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol
CID 113243238
3-[(4-bromo-3-fluorophenyl)methylamino]-4-methoxybutan-1-ol
CID 103773727
(1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 81390953

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol (CID 106156668) is 4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol is COCC(CCO)NCc1ccc2c(c1)CCCN2C.
What is the InChIKey of 4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol?
The InChIKey is QRYQIYSSNVVTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18-8-3-4-14-10-13(5-6-16(14)18)11-17-15(7-9-19)12-20-2/h5-6,10,15,17,19H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol?
4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol is sourced from PubChem (CID 106156668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).