4-bromo-N,N-diphenylnaphthalen-1-amine

C22H16BrN — CID 22614147

IUPAC4-bromo-N,N-diphenylnaphthalen-1-amine
SMILESBrc1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H16BrN/c23-21-15-16-22(20-14-8-7-13-19(20)21)24(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16H
InChIKeyAFFYQFMETFBWIS-UHFFFAOYSA-N
MW374.28 g/mol
LogP7.07
Rot. Bonds3

About 4-bromo-N,N-diphenylnaphthalen-1-amine

4-bromo-N,N-diphenylnaphthalen-1-amine (PubChem CID 22614147) has the molecular formula C22H16BrN and a molecular weight of 374.28 g/mol. Its IUPAC name is 4-bromo-N,N-diphenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-bromo-N,N-diphenylnaphthalen-1-amine
PubChem CID22614147
Molecular FormulaC22H16BrN
Molecular Weight374.28 g/mol
Exact Mass373.05
IUPAC Name4-bromo-N,N-diphenylnaphthalen-1-amine
SMILESBrc1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H16BrN/c23-21-15-16-22(20-14-8-7-13-19(20)21)24(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16H
InChIKeyAFFYQFMETFBWIS-UHFFFAOYSA-N
XLogP7.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.28
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-diphenylnaphthalen-1-amine?
The IUPAC name of 4-bromo-N,N-diphenylnaphthalen-1-amine (CID 22614147) is 4-bromo-N,N-diphenylnaphthalen-1-amine.
What is the SMILES notation for 4-bromo-N,N-diphenylnaphthalen-1-amine?
The canonical SMILES for 4-bromo-N,N-diphenylnaphthalen-1-amine is Brc1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of 4-bromo-N,N-diphenylnaphthalen-1-amine?
The InChIKey is AFFYQFMETFBWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN/c23-21-15-16-22(20-14-8-7-13-19(20)21)24(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16H.
What are the key properties of 4-bromo-N,N-diphenylnaphthalen-1-amine?
4-bromo-N,N-diphenylnaphthalen-1-amine has a molecular weight of 374.28 g/mol, XLogP of 7.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diphenylnaphthalen-1-amine is sourced from PubChem (CID 22614147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).