1-(4-bromophenyl)-5-methyl-3,4-dihydroisoquinoline

C16H14BrN — CID 12851821

IUPAC1-(4-bromophenyl)-5-methyl-3,4-dihydroisoquinoline
SMILESCc1cccc2c1CCN=C2c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN/c1-11-3-2-4-15-14(11)9-10-18-16(15)12-5-7-13(17)8-6-12/h2-8H,9-10H2,1H3
InChIKeyBIKXKQNMJDGCBD-UHFFFAOYSA-N
MW300.20 g/mol
LogP4.15
Rot. Bonds1

About 1-(4-bromophenyl)-5-methyl-3,4-dihydroisoquinoline

1-(4-bromophenyl)-5-methyl-3,4-dihydroisoquinoline (PubChem CID 12851821) has the molecular formula C16H14BrN and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methyl-3,4-dihydroisoquinoline
PubChem CID12851821
Molecular FormulaC16H14BrN
Molecular Weight300.20 g/mol
Exact Mass299.03
IUPAC Name1-(4-bromophenyl)-5-methyl-3,4-dihydroisoquinoline
SMILESCc1cccc2c1CCN=C2c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN/c1-11-3-2-4-15-14(11)9-10-18-16(15)12-5-7-13(17)8-6-12/h2-8H,9-10H2,1H3
InChIKeyBIKXKQNMJDGCBD-UHFFFAOYSA-N
XLogP4.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-Bromo-3,4-dihydroisoquinoline
CID 12000034
1-Methyl-8-phenyl-3,4-dihydroisoquinoline
CID 32411
3-Isoquinolineethanamine, 3,4-dihydro-1-(2-bromophenyl)-N,N-dimethyl-, dihydrochloride
CID 3068655
3-(4-Bromophenyl)-2-phenyl-6,7-dihydro-5h-1,4-diazepine
CID 44563826
1-(4-Fluorophenyl)-5-methyl-3,4-dihydroisoquinoline
CID 12851822
1-(4-Fluorophenyl)-8-methyl-3,4-dihydroisoquinoline
CID 139247516
N-benzyl-1-(4-bromophenyl)ethanimine
CID 12306329
5,6-Bis(4-bromophenyl)-2,3-dihydropyrazine
CID 13171290
1-(3-Bromophenyl)-3,4-dihydroisoquinoline
CID 44248023
6-Bromo-1-methyl-3,4-dihydroisoquinoline
CID 58416380
6-Methyl-1-phenyl-3,4-dihydroisoquinoline
CID 59824493
1-[(2-Bromophenyl)methyl]-3,4-dihydroisoquinoline
CID 86025440

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-methyl-3,4-dihydroisoquinoline?
The IUPAC name of 1-(4-bromophenyl)-5-methyl-3,4-dihydroisoquinoline (CID 12851821) is 1-(4-bromophenyl)-5-methyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-(4-bromophenyl)-5-methyl-3,4-dihydroisoquinoline?
The canonical SMILES for 1-(4-bromophenyl)-5-methyl-3,4-dihydroisoquinoline is Cc1cccc2c1CCN=C2c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-methyl-3,4-dihydroisoquinoline?
The InChIKey is BIKXKQNMJDGCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN/c1-11-3-2-4-15-14(11)9-10-18-16(15)12-5-7-13(17)8-6-12/h2-8H,9-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-5-methyl-3,4-dihydroisoquinoline?
1-(4-bromophenyl)-5-methyl-3,4-dihydroisoquinoline has a molecular weight of 300.20 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-methyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 12851821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).