1-methoxy-1,2-dihydroisoquinoline

C10H11NO — CID 70426915

IUPAC1-methoxy-1,2-dihydroisoquinoline
SMILESCOC1NC=Cc2ccccc21
InChIInChI=1S/C10H11NO/c1-12-10-9-5-3-2-4-8(9)6-7-11-10/h2-7,10-11H,1H3
InChIKeyUPTLXRDPPGTNNM-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.91
Rot. Bonds1

About 1-methoxy-1,2-dihydroisoquinoline

1-methoxy-1,2-dihydroisoquinoline (PubChem CID 70426915) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-methoxy-1,2-dihydroisoquinoline.

Molecular Properties

Compound Name1-methoxy-1,2-dihydroisoquinoline
PubChem CID70426915
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-methoxy-1,2-dihydroisoquinoline
SMILESCOC1NC=Cc2ccccc21
InChIInChI=1S/C10H11NO/c1-12-10-9-5-3-2-4-8(9)6-7-11-10/h2-7,10-11H,1H3
InChIKeyUPTLXRDPPGTNNM-UHFFFAOYSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(Methoxymethyl)phenyl]methanamine
CID 12628891
[2-(Ethoxymethyl)phenyl]methanamine
CID 16792336
{[2-(Dimethoxymethyl)phenyl]methyl}(methyl)amine
CID 84773600
N-{[2-(Methoxymethyl)phenyl]methyl}acetamide
CID 20071097
2H-1,3-Oxazine, tetrahydro-2-phenyl-
CID 352488
2-Phenyldihydrooxazole
CID 18505521
Dimethoxydihydroisoquinoline
CID 21256680
Methoxyisoindoline
CID 21572136
2-[(Methylamino)methyl]benzyl Alcohol
CID 21825614
1,2,3,4-Tetrahydroisoquinolin-1-yl formate
CID 56990431
Dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 66811083
1h-Isoquinolinol
CID 90370206

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1,2-dihydroisoquinoline?
The IUPAC name of 1-methoxy-1,2-dihydroisoquinoline (CID 70426915) is 1-methoxy-1,2-dihydroisoquinoline.
What is the SMILES notation for 1-methoxy-1,2-dihydroisoquinoline?
The canonical SMILES for 1-methoxy-1,2-dihydroisoquinoline is COC1NC=Cc2ccccc21.
What is the InChIKey of 1-methoxy-1,2-dihydroisoquinoline?
The InChIKey is UPTLXRDPPGTNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-12-10-9-5-3-2-4-8(9)6-7-11-10/h2-7,10-11H,1H3.
What are the key properties of 1-methoxy-1,2-dihydroisoquinoline?
1-methoxy-1,2-dihydroisoquinoline has a molecular weight of 161.20 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1,2-dihydroisoquinoline is sourced from PubChem (CID 70426915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).