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

C13H19NO — CID 63404059

IUPAC1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
SMILESCC(O)CN1CC(C)Cc2ccccc21
InChIInChI=1S/C13H19NO/c1-10-7-12-5-3-4-6-13(12)14(8-10)9-11(2)15/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyBBSAIDOTGWFKPZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.07
Rot. Bonds2

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

1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol (PubChem CID 63404059) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
PubChem CID63404059
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
SMILESCC(O)CN1CC(C)Cc2ccccc21
InChIInChI=1S/C13H19NO/c1-10-7-12-5-3-4-6-13(12)14(8-10)9-11(2)15/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyBBSAIDOTGWFKPZ-UHFFFAOYSA-N
XLogP2.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 55192460
1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902910
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 63466178
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-(ethylamino)-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63466352
3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid
CID 80996749
1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 64818927
2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 63531142
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
CID 15304197
2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol
CID 64791398

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol?
The IUPAC name of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol (CID 63404059) is 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol is CC(O)CN1CC(C)Cc2ccccc21.
What is the InChIKey of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol?
The InChIKey is BBSAIDOTGWFKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-7-12-5-3-4-6-13(12)14(8-10)9-11(2)15/h3-6,10-11,15H,7-9H2,1-2H3.
What are the key properties of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol?
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol is sourced from PubChem (CID 63404059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).