8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline

C16H16BrN — CID 23344309

IUPAC8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cccc(-c3cccc(Br)c3)c2C1
InChIInChI=1S/C16H16BrN/c1-18-9-8-12-4-3-7-15(16(12)11-18)13-5-2-6-14(17)10-13/h2-7,10H,8-9,11H2,1H3
InChIKeyJBJHPRQNYUEUEB-UHFFFAOYSA-N
MW302.22 g/mol
LogP4.10
Rot. Bonds1

About 8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline

8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 23344309) has the molecular formula C16H16BrN and a molecular weight of 302.22 g/mol. Its IUPAC name is 8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID23344309
Molecular FormulaC16H16BrN
Molecular Weight302.22 g/mol
Exact Mass301.05
IUPAC Name8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cccc(-c3cccc(Br)c3)c2C1
InChIInChI=1S/C16H16BrN/c1-18-9-8-12-4-3-7-15(16(12)11-18)13-5-2-6-14(17)10-13/h2-7,10H,8-9,11H2,1H3
InChIKeyJBJHPRQNYUEUEB-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 23344309) is 8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1CCc2cccc(-c3cccc(Br)c3)c2C1.
What is the InChIKey of 8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is JBJHPRQNYUEUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN/c1-18-9-8-12-4-3-7-15(16(12)11-18)13-5-2-6-14(17)10-13/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 302.22 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 23344309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).