7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline

C10H12BrN — CID 131116502

IUPAC7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc(Br)cc2c1CCNC2
InChIInChI=1S/C10H12BrN/c1-7-4-9(11)5-8-6-12-3-2-10(7)8/h4-5,12H,2-3,6H2,1H3
InChIKeyVVSDOVQZYRMVFW-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.40
Rot. Bonds

About 7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline

7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 131116502) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID131116502
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc(Br)cc2c1CCNC2
InChIInChI=1S/C10H12BrN/c1-7-4-9(11)5-8-6-12-3-2-10(7)8/h4-5,12H,2-3,6H2,1H3
InChIKeyVVSDOVQZYRMVFW-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
8-Bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 44363154
5-Bromo-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline
CID 5067706
4-Bromo-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene
CID 9904403
7-Bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 44405495
6-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 15885183
3-Trifluoromethyl-7-bromo-1,2,3,4-tetrahydroisoquinoline
CID 10401405
7-Bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 10514405
(R)-7-Bromo-3-fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10610273
(S)-7-Bromo-3-fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10776652
7-Bromo-3-difluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 11500379
7-Bromo-1,2,3,4-tetrahydrobenzo[h]isoquinoline
CID 16216219

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline (CID 131116502) is 7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline is Cc1cc(Br)cc2c1CCNC2.
What is the InChIKey of 7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VVSDOVQZYRMVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-7-4-9(11)5-8-6-12-3-2-10(7)8/h4-5,12H,2-3,6H2,1H3.
What are the key properties of 7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline?
7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 226.12 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 131116502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).