8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine

C22H18BrN — CID 59960093

IUPAC8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine
SMILESBrc1cccc2c1C=C(N(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C22H18BrN/c23-22-13-7-8-17-14-15-20(16-21(17)22)24(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-13,16H,14-15H2
InChIKeyXHDMWSGBTXFNLD-UHFFFAOYSA-N
MW376.30 g/mol
LogP6.57
Rot. Bonds3

About 8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine

8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine (PubChem CID 59960093) has the molecular formula C22H18BrN and a molecular weight of 376.30 g/mol. Its IUPAC name is 8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine.

Molecular Properties

Compound Name8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine
PubChem CID59960093
Molecular FormulaC22H18BrN
Molecular Weight376.30 g/mol
Exact Mass375.06
IUPAC Name8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine
SMILESBrc1cccc2c1C=C(N(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C22H18BrN/c23-22-13-7-8-17-14-15-20(16-21(17)22)24(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-13,16H,14-15H2
InChIKeyXHDMWSGBTXFNLD-UHFFFAOYSA-N
XLogP6.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.30
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine?
The IUPAC name of 8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine (CID 59960093) is 8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine.
What is the SMILES notation for 8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine?
The canonical SMILES for 8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine is Brc1cccc2c1C=C(N(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of 8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine?
The InChIKey is XHDMWSGBTXFNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN/c23-22-13-7-8-17-14-15-20(16-21(17)22)24(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-13,16H,14-15H2.
What are the key properties of 8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine?
8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine has a molecular weight of 376.30 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine is sourced from PubChem (CID 59960093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).