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

C12H17NO — CID 39238520

IUPAC(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESC[C@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C12H17NO/c1-10(14)8-13-7-6-11-4-2-3-5-12(11)9-13/h2-5,10,14H,6-9H2,1H3/t10-/m0/s1
InChIKeyBRYRUMXPKITJOF-JTQLQIEISA-N
MW191.27 g/mol
LogP1.43
Rot. Bonds2

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

(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 39238520) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
PubChem CID39238520
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESC[C@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C12H17NO/c1-10(14)8-13-7-6-11-4-2-3-5-12(11)9-13/h2-5,10,14H,6-9H2,1H3/t10-/m0/s1
InChIKeyBRYRUMXPKITJOF-JTQLQIEISA-N
XLogP1.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol with MolForge

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Related Compounds

1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperazin-1-yl]propan-2-ol
CID 175834999
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide
CID 82079357
(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoic acid
CID 93107764
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]propan-2-ol
CID 56802797
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95610855
(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanenitrile
CID 39161361
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine
CID 142598065
2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-ol
CID 115873112
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine
CID 138663721
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol
CID 82044560
ethane;2-(2-methylhexyl)-3,4-dihydro-1H-isoquinoline
CID 158221381
2-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029138

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 39238520) is (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is C[C@H](O)CN1CCc2ccccc2C1.
What is the InChIKey of (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is BRYRUMXPKITJOF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO/c1-10(14)8-13-7-6-11-4-2-3-5-12(11)9-13/h2-5,10,14H,6-9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 191.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 39238520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).