7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline

C11H17NO — CID 130246078

IUPAC7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline
SMILESCOC1=CC2CN(C)CCC2C=C1
InChIInChI=1S/C11H17NO/c1-12-6-5-9-3-4-11(13-2)7-10(9)8-12/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyKPKMBGVNFQCKEV-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.65
Rot. Bonds1

About 7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline

7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline (PubChem CID 130246078) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline.

Molecular Properties

Compound Name7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline
PubChem CID130246078
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline
SMILESCOC1=CC2CN(C)CCC2C=C1
InChIInChI=1S/C11H17NO/c1-12-6-5-9-3-4-11(13-2)7-10(9)8-12/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyKPKMBGVNFQCKEV-UHFFFAOYSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

(3S)-1-[[3-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]-3-propan-2-ylpiperidine
CID 163644112
12-Methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(15),3,5,7,18-pentaene
CID 56636282
7-Methoxy-1,2,2,4-tetramethyl-3,4,4a,5-tetrahydroquinoline
CID 68130929
6-ethoxy-1,1,4-trimethyl-3,4,4a,8a-tetrahydro-2H-quinolin-1-ium
CID 68417575
6,7-dimethoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 70547939
1-Butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline
CID 70584629
1-Butyl-8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline
CID 70584769
2-(1-methoxypropa-1,2-dienyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 88877947
6-Ethyl-7-methoxy-1,2,3,4,4a,8a-hexahydroisoquinoline
CID 89109781
1-[(3Z,5Z)-7-[(2E,4Z)-hepta-2,4-dien-3-yl]oxyocta-3,5-dienyl]-4-[4-[(1E,3Z,5E)-5-methylhepta-1,3,5-trienyl]cyclohexa-1,5-dien-1-yl]piperidine
CID 122651439
4-(3-Methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine
CID 126490204
1-[3-(4-Methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine
CID 129295731

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline?
The IUPAC name of 7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline (CID 130246078) is 7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline.
What is the SMILES notation for 7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline?
The canonical SMILES for 7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline is COC1=CC2CN(C)CCC2C=C1.
What is the InChIKey of 7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline?
The InChIKey is KPKMBGVNFQCKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-6-5-9-3-4-11(13-2)7-10(9)8-12/h3-4,7,9-10H,5-6,8H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline?
7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline has a molecular weight of 179.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline is sourced from PubChem (CID 130246078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).