2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol

C14H21NO — CID 105474706

IUPAC2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol
SMILESCC(C)(O)CCc1ccc2c(c1)CCNC2
InChIInChI=1S/C14H21NO/c1-14(2,16)7-5-11-3-4-13-10-15-8-6-12(13)9-11/h3-4,9,15-16H,5-8,10H2,1-2H3
InChIKeyXEGVQHNZHRRPAQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.04
Rot. Bonds3

About 2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol

2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol (PubChem CID 105474706) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol
PubChem CID105474706
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol
SMILESCC(C)(O)CCc1ccc2c(c1)CCNC2
InChIInChI=1S/C14H21NO/c1-14(2,16)7-5-11-3-4-13-10-15-8-6-12(13)9-11/h3-4,9,15-16H,5-8,10H2,1-2H3
InChIKeyXEGVQHNZHRRPAQ-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol?
The IUPAC name of 2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol (CID 105474706) is 2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol is CC(C)(O)CCc1ccc2c(c1)CCNC2.
What is the InChIKey of 2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol?
The InChIKey is XEGVQHNZHRRPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,16)7-5-11-3-4-13-10-15-8-6-12(13)9-11/h3-4,9,15-16H,5-8,10H2,1-2H3.
What are the key properties of 2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol?
2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol is sourced from PubChem (CID 105474706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).