1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol

C16H26N2O — CID 63466178

IUPAC1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol
SMILESCC1Cc2ccccc2N(CC(O)CNC(C)C)C1
InChIInChI=1S/C16H26N2O/c1-12(2)17-9-15(19)11-18-10-13(3)8-14-6-4-5-7-16(14)18/h4-7,12-13,15,17,19H,8-11H2,1-3H3
InChIKeyXDUTYFLHAHOMJW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.04
Rot. Bonds5

About 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol

1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 63466178) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol
PubChem CID63466178
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol
SMILESCC1Cc2ccccc2N(CC(O)CNC(C)C)C1
InChIInChI=1S/C16H26N2O/c1-12(2)17-9-15(19)11-18-10-13(3)8-14-6-4-5-7-16(14)18/h4-7,12-13,15,17,19H,8-11H2,1-3H3
InChIKeyXDUTYFLHAHOMJW-UHFFFAOYSA-N
XLogP2.04
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol with MolForge

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Related Compounds

1-(ethylamino)-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63466352
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63404059
1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 43165785
3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 55192460
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)ethanol
CID 63473067
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
(2R)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-2-amine
CID 112736704
1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 64818927
5-methyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]hexan-2-amine
CID 63502951
1-cyclopropyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]ethanamine
CID 63503815
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanamide
CID 63466530
3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid
CID 80996749

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol (CID 63466178) is 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol is CC1Cc2ccccc2N(CC(O)CNC(C)C)C1.
What is the InChIKey of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is XDUTYFLHAHOMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)17-9-15(19)11-18-10-13(3)8-14-6-4-5-7-16(14)18/h4-7,12-13,15,17,19H,8-11H2,1-3H3.
What are the key properties of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol?
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 63466178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).