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

C15H23NO — CID 79317190

IUPAC2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
SMILESCc1ccc2c(c1)CCCN2CCC(C)(C)O
InChIInChI=1S/C15H23NO/c1-12-6-7-14-13(11-12)5-4-9-16(14)10-8-15(2,3)17/h6-7,11,17H,4-5,8-10H2,1-3H3
InChIKeyIXHWDMWWSGNEQQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.91
Rot. Bonds3

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

2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol (PubChem CID 79317190) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
PubChem CID79317190
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
SMILESCc1ccc2c(c1)CCCN2CCC(C)(C)O
InChIInChI=1S/C15H23NO/c1-12-6-7-14-13(11-12)5-4-9-16(14)10-8-15(2,3)17/h6-7,11,17H,4-5,8-10H2,1-3H3
InChIKeyIXHWDMWWSGNEQQ-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 65249302
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
CID 79316472
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 60698848
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide
CID 77063046
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propan-2-amine
CID 60841491
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
CID 60861432
2-(ethylamino)-2-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 64795808
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 60840997
6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-amine
CID 106799282
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]butan-2-amine
CID 60854306
4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64797111

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol?
The IUPAC name of 2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol (CID 79317190) is 2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol is Cc1ccc2c(c1)CCCN2CCC(C)(C)O.
What is the InChIKey of 2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol?
The InChIKey is IXHWDMWWSGNEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-7-14-13(11-12)5-4-9-16(14)10-8-15(2,3)17/h6-7,11,17H,4-5,8-10H2,1-3H3.
What are the key properties of 2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol?
2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol is sourced from PubChem (CID 79317190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).