6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

C15H22BrNO2 — CID 84608511

IUPAC6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1c(Br)c(C)c(OC)c2c1CCNC2C(C)C
InChIInChI=1S/C15H22BrNO2/c1-8(2)13-11-10(6-7-17-13)15(19-5)12(16)9(3)14(11)18-4/h8,13,17H,6-7H2,1-5H3
InChIKeyUHINPSFIFIHKRH-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.62
Rot. Bonds3

About 6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 84608511) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID84608511
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1c(Br)c(C)c(OC)c2c1CCNC2C(C)C
InChIInChI=1S/C15H22BrNO2/c1-8(2)13-11-10(6-7-17-13)15(19-5)12(16)9(3)14(11)18-4/h8,13,17H,6-7H2,1-5H3
InChIKeyUHINPSFIFIHKRH-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline
CID 112514008
8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 63272100
7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 112514013
(1S)-1-propan-2-yl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine
CID 821826
9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one
CID 171976359
2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116349
4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116557
6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 59526473
(1S)-1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 7262088
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 117457157
4,6,10,12,16,18,22,24-octabromo-5,11,17,23,25,26,27,28-octamethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 15866168
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 84608511) is 6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is COc1c(Br)c(C)c(OC)c2c1CCNC2C(C)C.
What is the InChIKey of 6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UHINPSFIFIHKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-8(2)13-11-10(6-7-17-13)15(19-5)12(16)9(3)14(11)18-4/h8,13,17H,6-7H2,1-5H3.
What are the key properties of 6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 328.25 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 84608511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).