6-bromo-N-(1-phenylethyl)-3,4-dihydro-1H-naphthalen-2-imine

C18H18BrN — CID 57191316

IUPAC6-bromo-N-(1-phenylethyl)-3,4-dihydro-1H-naphthalen-2-imine
SMILESCC(/N=C1\CCc2cc(Br)ccc2C1)c1ccccc1
InChIInChI=1S/C18H18BrN/c1-13(14-5-3-2-4-6-14)20-18-10-8-15-11-17(19)9-7-16(15)12-18/h2-7,9,11,13H,8,10,12H2,1H3/b20-18+
InChIKeyTYTZPSYYYZEGPF-CZIZESTLSA-N
MW328.25 g/mol
LogP5.14
Rot. Bonds2

About 6-bromo-N-(1-phenylethyl)-3,4-dihydro-1H-naphthalen-2-imine

6-bromo-N-(1-phenylethyl)-3,4-dihydro-1H-naphthalen-2-imine (PubChem CID 57191316) has the molecular formula C18H18BrN and a molecular weight of 328.25 g/mol. Its IUPAC name is 6-bromo-N-(1-phenylethyl)-3,4-dihydro-1H-naphthalen-2-imine.

Molecular Properties

Compound Name6-bromo-N-(1-phenylethyl)-3,4-dihydro-1H-naphthalen-2-imine
PubChem CID57191316
Molecular FormulaC18H18BrN
Molecular Weight328.25 g/mol
Exact Mass327.06
IUPAC Name6-bromo-N-(1-phenylethyl)-3,4-dihydro-1H-naphthalen-2-imine
SMILESCC(/N=C1\CCc2cc(Br)ccc2C1)c1ccccc1
InChIInChI=1S/C18H18BrN/c1-13(14-5-3-2-4-6-14)20-18-10-8-15-11-17(19)9-7-16(15)12-18/h2-7,9,11,13H,8,10,12H2,1H3/b20-18+
InChIKeyTYTZPSYYYZEGPF-CZIZESTLSA-N
XLogP5.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.25
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-phenylethyl)-3,4-dihydro-1H-naphthalen-2-imine?
The IUPAC name of 6-bromo-N-(1-phenylethyl)-3,4-dihydro-1H-naphthalen-2-imine (CID 57191316) is 6-bromo-N-(1-phenylethyl)-3,4-dihydro-1H-naphthalen-2-imine.
What is the SMILES notation for 6-bromo-N-(1-phenylethyl)-3,4-dihydro-1H-naphthalen-2-imine?
The canonical SMILES for 6-bromo-N-(1-phenylethyl)-3,4-dihydro-1H-naphthalen-2-imine is CC(/N=C1\CCc2cc(Br)ccc2C1)c1ccccc1.
What is the InChIKey of 6-bromo-N-(1-phenylethyl)-3,4-dihydro-1H-naphthalen-2-imine?
The InChIKey is TYTZPSYYYZEGPF-CZIZESTLSA-N. The full InChI is InChI=1S/C18H18BrN/c1-13(14-5-3-2-4-6-14)20-18-10-8-15-11-17(19)9-7-16(15)12-18/h2-7,9,11,13H,8,10,12H2,1H3/b20-18+.
What are the key properties of 6-bromo-N-(1-phenylethyl)-3,4-dihydro-1H-naphthalen-2-imine?
6-bromo-N-(1-phenylethyl)-3,4-dihydro-1H-naphthalen-2-imine has a molecular weight of 328.25 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-phenylethyl)-3,4-dihydro-1H-naphthalen-2-imine is sourced from PubChem (CID 57191316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).