(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol

C12H17NO2 — CID 15933736

IUPAC(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol
SMILESCOc1cccc2c1CC(CO)N(C)C2
InChIInChI=1S/C12H17NO2/c1-13-7-9-4-3-5-12(15-2)11(9)6-10(13)8-14/h3-5,10,14H,6-8H2,1-2H3
InChIKeyKONKAKAQKXKOCP-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.04
Rot. Bonds2

About (5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol

(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol (PubChem CID 15933736) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol
PubChem CID15933736
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol
SMILESCOc1cccc2c1CC(CO)N(C)C2
InChIInChI=1S/C12H17NO2/c1-13-7-9-4-3-5-12(15-2)11(9)6-10(13)8-14/h3-5,10,14H,6-8H2,1-2H3
InChIKeyKONKAKAQKXKOCP-UHFFFAOYSA-N
XLogP1.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methanol;molecular hydrogen
CID 177039068
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
4-methoxy-1,3-dihydroisoindol-2-amine
CID 125426011
(2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130898771
(3S,4aS,10aS)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline-3-carboxylic acid
CID 70194908
methyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate
CID 18789283
(4aS,10aS)-9-methoxy-4-methyl-2,3,4a,5,10,10a-hexahydrobenzo[g][1,4]benzoxazine
CID 44553780
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
1-(4-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 20754713
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine
CID 14181059
5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine
CID 89009600
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol?
The IUPAC name of (5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol (CID 15933736) is (5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol.
What is the SMILES notation for (5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol?
The canonical SMILES for (5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol is COc1cccc2c1CC(CO)N(C)C2.
What is the InChIKey of (5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol?
The InChIKey is KONKAKAQKXKOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-7-9-4-3-5-12(15-2)11(9)6-10(13)8-14/h3-5,10,14H,6-8H2,1-2H3.
What are the key properties of (5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol?
(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol has a molecular weight of 207.27 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol is sourced from PubChem (CID 15933736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).