7-bromo-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline

C16H15BrFN — CID 66789019

IUPAC7-bromo-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(Br)ccc2C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H15BrFN/c1-19-9-12-8-13(17)4-7-15(12)16(10-19)11-2-5-14(18)6-3-11/h2-8,16H,9-10H2,1H3
InChIKeyGXCZMXPCWGZHJT-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.17
Rot. Bonds1

About 7-bromo-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline

7-bromo-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 66789019) has the molecular formula C16H15BrFN and a molecular weight of 320.21 g/mol. Its IUPAC name is 7-bromo-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-bromo-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID66789019
Molecular FormulaC16H15BrFN
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC Name7-bromo-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(Br)ccc2C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H15BrFN/c1-19-9-12-8-13(17)4-7-15(12)16(10-19)11-2-5-14(18)6-3-11/h2-8,16H,9-10H2,1H3
InChIKeyGXCZMXPCWGZHJT-UHFFFAOYSA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
4-Bromo-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene
CID 9904403
4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 9838051
4-(3-Bromo-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-piperidine
CID 23343659
6-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 15885183
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-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 44405498
7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 71450609
(1S,9S,16R)-4,13-dibromo-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 122197496
5-Bromo-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 14528785

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-bromo-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 66789019) is 7-bromo-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-bromo-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-bromo-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2cc(Br)ccc2C(c2ccc(F)cc2)C1.
What is the InChIKey of 7-bromo-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is GXCZMXPCWGZHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c1-19-9-12-8-13(17)4-7-15(12)16(10-19)11-2-5-14(18)6-3-11/h2-8,16H,9-10H2,1H3.
What are the key properties of 7-bromo-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
7-bromo-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 320.21 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 66789019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).