7-methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline

C11H17NO — CID 146371502

IUPAC7-methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline
SMILESCOC1=CC2CNCCC2C=C1C
InChIInChI=1S/C11H17NO/c1-8-5-9-3-4-12-7-10(9)6-11(8)13-2/h5-6,9-10,12H,3-4,7H2,1-2H3
InChIKeyBPPITIMUVXUZSI-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.70
Rot. Bonds1

About 7-methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline

7-methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline (PubChem CID 146371502) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 7-methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline.

Molecular Properties

Compound Name7-methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline
PubChem CID146371502
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name7-methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline
SMILESCOC1=CC2CNCCC2C=C1C
InChIInChI=1S/C11H17NO/c1-8-5-9-3-4-12-7-10(9)6-11(8)13-2/h5-6,9-10,12H,3-4,7H2,1-2H3
InChIKeyBPPITIMUVXUZSI-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 130246078
4-(3-Fluoro-2-methoxycyclohexa-1,3-dien-1-yl)piperidine
CID 144378250
Carbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium
CID 166108118
carbanide;(3S)-3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium
CID 166108122
6,7-Dimethoxy-1,2,3,4,4a,8a-hexahydroisoquinoline
CID 44249266
Spiro[isochromene-3,4'-piperidine]
CID 87563605
4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 88308841
6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine
CID 89043976
6-Ethyl-7-methoxy-1,2,3,4,4a,8a-hexahydroisoquinoline
CID 89109781
N-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide
CID 90348267
5-Methoxy-6-piperidin-4-yl-1,2-dihydropyridine
CID 118610408
5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine
CID 123514732

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline?
The IUPAC name of 7-methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline (CID 146371502) is 7-methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline.
What is the SMILES notation for 7-methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline?
The canonical SMILES for 7-methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline is COC1=CC2CNCCC2C=C1C.
What is the InChIKey of 7-methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline?
The InChIKey is BPPITIMUVXUZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-5-9-3-4-12-7-10(9)6-11(8)13-2/h5-6,9-10,12H,3-4,7H2,1-2H3.
What are the key properties of 7-methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline?
7-methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline has a molecular weight of 179.26 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline is sourced from PubChem (CID 146371502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).