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

C16H25NO — CID 55192460

IUPAC3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
SMILESCC1Cc2ccccc2N(CC(O)C(C)(C)C)C1
InChIInChI=1S/C16H25NO/c1-12-9-13-7-5-6-8-14(13)17(10-12)11-15(18)16(2,3)4/h5-8,12,15,18H,9-11H2,1-4H3
InChIKeyRNSASBKHNCUINK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.09
Rot. Bonds2

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

3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol (PubChem CID 55192460) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
PubChem CID55192460
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
SMILESCC1Cc2ccccc2N(CC(O)C(C)(C)C)C1
InChIInChI=1S/C16H25NO/c1-12-9-13-7-5-6-8-14(13)17(10-12)11-15(18)16(2,3)4/h5-8,12,15,18H,9-11H2,1-4H3
InChIKeyRNSASBKHNCUINK-UHFFFAOYSA-N
XLogP3.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63404059
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)ethanol
CID 63473067
3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid
CID 80996749
(2R)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-2-amine
CID 112736704
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 63466178
1-(ethylamino)-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63466352
4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 63484285
2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide
CID 79626505
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 64818927
N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 63492799
2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 63531142

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol (CID 55192460) is 3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol is CC1Cc2ccccc2N(CC(O)C(C)(C)C)C1.
What is the InChIKey of 3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol?
The InChIKey is RNSASBKHNCUINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-9-13-7-5-6-8-14(13)17(10-12)11-15(18)16(2,3)4/h5-8,12,15,18H,9-11H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol?
3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol is sourced from PubChem (CID 55192460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).