3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol

C15H23NO — CID 116997978

IUPAC3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol
SMILESCC(C)C(CO)Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C15H23NO/c1-11(2)14(10-17)9-12-5-6-15-13(8-12)4-3-7-16-15/h5-6,8,11,14,16-17H,3-4,7,9-10H2,1-2H3
InChIKeyKLWOBDJYMISIQP-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.85
Rot. Bonds4

About 3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol

3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol (PubChem CID 116997978) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol
PubChem CID116997978
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol
SMILESCC(C)C(CO)Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C15H23NO/c1-11(2)14(10-17)9-12-5-6-15-13(8-12)4-3-7-16-15/h5-6,8,11,14,16-17H,3-4,7,9-10H2,1-2H3
InChIKeyKLWOBDJYMISIQP-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol?
The IUPAC name of 3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol (CID 116997978) is 3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol?
The canonical SMILES for 3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol is CC(C)C(CO)Cc1ccc2c(c1)CCCN2.
What is the InChIKey of 3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol?
The InChIKey is KLWOBDJYMISIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)14(10-17)9-12-5-6-15-13(8-12)4-3-7-16-15/h5-6,8,11,14,16-17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol?
3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol is sourced from PubChem (CID 116997978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).