7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine

C17H19BrN2 — CID 24757234

IUPAC7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCCN1CCc2c(-c3ccccc3)cc(Br)c(N)c2C1
InChIInChI=1S/C17H19BrN2/c1-2-20-9-8-13-14(12-6-4-3-5-7-12)10-16(18)17(19)15(13)11-20/h3-7,10H,2,8-9,11,19H2,1H3
InChIKeyQSISPXFLVVABAA-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.08
Rot. Bonds2

About 7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine

7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 24757234) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID24757234
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCCN1CCc2c(-c3ccccc3)cc(Br)c(N)c2C1
InChIInChI=1S/C17H19BrN2/c1-2-20-9-8-13-14(12-6-4-3-5-7-12)10-16(18)17(19)15(13)11-20/h3-7,10H,2,8-9,11,19H2,1H3
InChIKeyQSISPXFLVVABAA-UHFFFAOYSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine (CID 24757234) is 7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine is CCN1CCc2c(-c3ccccc3)cc(Br)c(N)c2C1.
What is the InChIKey of 7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is QSISPXFLVVABAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-2-20-9-8-13-14(12-6-4-3-5-7-12)10-16(18)17(19)15(13)11-20/h3-7,10H,2,8-9,11,19H2,1H3.
What are the key properties of 7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine?
7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 331.26 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 24757234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).