1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol

C13H19NO — CID 105457923

IUPAC1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol
SMILESCC(O)Cc1cccc2c1CCN(C)C2
InChIInChI=1S/C13H19NO/c1-10(15)8-11-4-3-5-12-9-14(2)7-6-13(11)12/h3-5,10,15H,6-9H2,1-2H3
InChIKeyPJQXWLBKYSZSIW-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.60
Rot. Bonds2

About 1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol

1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol (PubChem CID 105457923) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol
PubChem CID105457923
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol
SMILESCC(O)Cc1cccc2c1CCN(C)C2
InChIInChI=1S/C13H19NO/c1-10(15)8-11-4-3-5-12-9-14(2)7-6-13(11)12/h3-5,10,15H,6-9H2,1-2H3
InChIKeyPJQXWLBKYSZSIW-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-ol
CID 115105556
actinium;(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)azanide
CID 20633083
2-methyl-3,4-dihydro-1H-isoquinoline-5-carbonitrile
CID 14528786
3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-6-yl)propanoic acid
CID 105493043
5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11790021
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxymethyl]benzonitrile
CID 18695678
2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 139381612
2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-ol
CID 105474711
2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine
CID 84674560
2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline
CID 143173694
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol?
The IUPAC name of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol (CID 105457923) is 1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol?
The canonical SMILES for 1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol is CC(O)Cc1cccc2c1CCN(C)C2.
What is the InChIKey of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol?
The InChIKey is PJQXWLBKYSZSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(15)8-11-4-3-5-12-9-14(2)7-6-13(11)12/h3-5,10,15H,6-9H2,1-2H3.
What are the key properties of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol?
1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol is sourced from PubChem (CID 105457923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).