7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

C14H21NO — CID 82127533

IUPAC7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CNCC2CC(C)C
InChIInChI=1S/C14H21NO/c1-10(2)6-11-8-15-9-12-7-13(16-3)4-5-14(11)12/h4-5,7,10-11,15H,6,8-9H2,1-3H3
InChIKeyWVQOPZAHHCWAAJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.93
Rot. Bonds3

About 7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82127533) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID82127533
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CNCC2CC(C)C
InChIInChI=1S/C14H21NO/c1-10(2)6-11-8-15-9-12-7-13(16-3)4-5-14(11)12/h4-5,7,10-11,15H,6,8-9H2,1-3H3
InChIKeyWVQOPZAHHCWAAJ-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 82129109
7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
CID 105477768
6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 82127242
5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986376
7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
CID 161060246
5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 154454244
4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 105491599
4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 104505044
(4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169422
4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 106779335
(6-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620620
3-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-2-methylpropan-1-ol
CID 83985293

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (CID 82127533) is 7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)CNCC2CC(C)C.
What is the InChIKey of 7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WVQOPZAHHCWAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)6-11-8-15-9-12-7-13(16-3)4-5-14(11)12/h4-5,7,10-11,15H,6,8-9H2,1-3H3.
What are the key properties of 7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 219.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82127533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).