7-bromo-3,3-dimethyl-N-(1-phenylethyl)-2,4-dihydronaphthalen-1-imine

C20H22BrN — CID 66688648

IUPAC7-bromo-3,3-dimethyl-N-(1-phenylethyl)-2,4-dihydronaphthalen-1-imine
SMILESCC(/N=C1\CC(C)(C)Cc2ccc(Br)cc21)c1ccccc1
InChIInChI=1S/C20H22BrN/c1-14(15-7-5-4-6-8-15)22-19-13-20(2,3)12-16-9-10-17(21)11-18(16)19/h4-11,14H,12-13H2,1-3H3/b22-19+
InChIKeyMYJNLKAZQUTMPN-ZBJSNUHESA-N
MW356.31 g/mol
LogP5.97
Rot. Bonds2

About 7-bromo-3,3-dimethyl-N-(1-phenylethyl)-2,4-dihydronaphthalen-1-imine

7-bromo-3,3-dimethyl-N-(1-phenylethyl)-2,4-dihydronaphthalen-1-imine (PubChem CID 66688648) has the molecular formula C20H22BrN and a molecular weight of 356.31 g/mol. Its IUPAC name is 7-bromo-3,3-dimethyl-N-(1-phenylethyl)-2,4-dihydronaphthalen-1-imine.

Molecular Properties

Compound Name7-bromo-3,3-dimethyl-N-(1-phenylethyl)-2,4-dihydronaphthalen-1-imine
PubChem CID66688648
Molecular FormulaC20H22BrN
Molecular Weight356.31 g/mol
Exact Mass355.09
IUPAC Name7-bromo-3,3-dimethyl-N-(1-phenylethyl)-2,4-dihydronaphthalen-1-imine
SMILESCC(/N=C1\CC(C)(C)Cc2ccc(Br)cc21)c1ccccc1
InChIInChI=1S/C20H22BrN/c1-14(15-7-5-4-6-8-15)22-19-13-20(2,3)12-16-9-10-17(21)11-18(16)19/h4-11,14H,12-13H2,1-3H3/b22-19+
InChIKeyMYJNLKAZQUTMPN-ZBJSNUHESA-N
XLogP5.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.31
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,3-dimethyl-N-(1-phenylethyl)-2,4-dihydronaphthalen-1-imine?
The IUPAC name of 7-bromo-3,3-dimethyl-N-(1-phenylethyl)-2,4-dihydronaphthalen-1-imine (CID 66688648) is 7-bromo-3,3-dimethyl-N-(1-phenylethyl)-2,4-dihydronaphthalen-1-imine.
What is the SMILES notation for 7-bromo-3,3-dimethyl-N-(1-phenylethyl)-2,4-dihydronaphthalen-1-imine?
The canonical SMILES for 7-bromo-3,3-dimethyl-N-(1-phenylethyl)-2,4-dihydronaphthalen-1-imine is CC(/N=C1\CC(C)(C)Cc2ccc(Br)cc21)c1ccccc1.
What is the InChIKey of 7-bromo-3,3-dimethyl-N-(1-phenylethyl)-2,4-dihydronaphthalen-1-imine?
The InChIKey is MYJNLKAZQUTMPN-ZBJSNUHESA-N. The full InChI is InChI=1S/C20H22BrN/c1-14(15-7-5-4-6-8-15)22-19-13-20(2,3)12-16-9-10-17(21)11-18(16)19/h4-11,14H,12-13H2,1-3H3/b22-19+.
What are the key properties of 7-bromo-3,3-dimethyl-N-(1-phenylethyl)-2,4-dihydronaphthalen-1-imine?
7-bromo-3,3-dimethyl-N-(1-phenylethyl)-2,4-dihydronaphthalen-1-imine has a molecular weight of 356.31 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,3-dimethyl-N-(1-phenylethyl)-2,4-dihydronaphthalen-1-imine is sourced from PubChem (CID 66688648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).