2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol

C14H21NO — CID 105474708

IUPAC2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol
SMILESCN1CCc2ccc(CC(C)(C)O)cc2C1
InChIInChI=1S/C14H21NO/c1-14(2,16)9-11-4-5-12-6-7-15(3)10-13(12)8-11/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyZYDMXQDOJCCTTD-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.99
Rot. Bonds2

About 2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol

2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol (PubChem CID 105474708) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol
PubChem CID105474708
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol
SMILESCN1CCc2ccc(CC(C)(C)O)cc2C1
InChIInChI=1S/C14H21NO/c1-14(2,16)9-11-4-5-12-6-7-15(3)10-13(12)8-11/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyZYDMXQDOJCCTTD-UHFFFAOYSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol
CID 105445307
2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-ol
CID 105474711
(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane
CID 155201597
7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 170099956
3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol
CID 105474725
2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 143655275
6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116928650
5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116928648
1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine
CID 170078388
2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
CID 143924095
4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol
CID 105493498
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol (CID 105474708) is 2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol is CN1CCc2ccc(CC(C)(C)O)cc2C1.
What is the InChIKey of 2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol?
The InChIKey is ZYDMXQDOJCCTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,16)9-11-4-5-12-6-7-15(3)10-13(12)8-11/h4-5,8,16H,6-7,9-10H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol?
2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol is sourced from PubChem (CID 105474708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).