6-bromo-N,N-bis(2-phenylmethoxyethyl)naphthalen-2-amine

C28H28BrNO2 — CID 69315378

IUPAC6-bromo-N,N-bis(2-phenylmethoxyethyl)naphthalen-2-amine
SMILESBrc1ccc2cc(N(CCOCc3ccccc3)CCOCc3ccccc3)ccc2c1
InChIInChI=1S/C28H28BrNO2/c29-27-13-11-26-20-28(14-12-25(26)19-27)30(15-17-31-21-23-7-3-1-4-8-23)16-18-32-22-24-9-5-2-6-10-24/h1-14,19-20H,15-18,21-22H2
InChIKeyWFFUCTFYZGXODJ-UHFFFAOYSA-N
MW490.44 g/mol
LogP6.84
Rot. Bonds11

About 6-bromo-N,N-bis(2-phenylmethoxyethyl)naphthalen-2-amine

6-bromo-N,N-bis(2-phenylmethoxyethyl)naphthalen-2-amine (PubChem CID 69315378) has the molecular formula C28H28BrNO2 and a molecular weight of 490.44 g/mol. Its IUPAC name is 6-bromo-N,N-bis(2-phenylmethoxyethyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N,N-bis(2-phenylmethoxyethyl)naphthalen-2-amine
PubChem CID69315378
Molecular FormulaC28H28BrNO2
Molecular Weight490.44 g/mol
Exact Mass489.13
IUPAC Name6-bromo-N,N-bis(2-phenylmethoxyethyl)naphthalen-2-amine
SMILESBrc1ccc2cc(N(CCOCc3ccccc3)CCOCc3ccccc3)ccc2c1
InChIInChI=1S/C28H28BrNO2/c29-27-13-11-26-20-28(14-12-25(26)19-27)30(15-17-31-21-23-7-3-1-4-8-23)16-18-32-22-24-9-5-2-6-10-24/h1-14,19-20H,15-18,21-22H2
InChIKeyWFFUCTFYZGXODJ-UHFFFAOYSA-N
XLogP6.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.44
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-bis(2-phenylmethoxyethyl)naphthalen-2-amine?
The IUPAC name of 6-bromo-N,N-bis(2-phenylmethoxyethyl)naphthalen-2-amine (CID 69315378) is 6-bromo-N,N-bis(2-phenylmethoxyethyl)naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N,N-bis(2-phenylmethoxyethyl)naphthalen-2-amine?
The canonical SMILES for 6-bromo-N,N-bis(2-phenylmethoxyethyl)naphthalen-2-amine is Brc1ccc2cc(N(CCOCc3ccccc3)CCOCc3ccccc3)ccc2c1.
What is the InChIKey of 6-bromo-N,N-bis(2-phenylmethoxyethyl)naphthalen-2-amine?
The InChIKey is WFFUCTFYZGXODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28BrNO2/c29-27-13-11-26-20-28(14-12-25(26)19-27)30(15-17-31-21-23-7-3-1-4-8-23)16-18-32-22-24-9-5-2-6-10-24/h1-14,19-20H,15-18,21-22H2.
What are the key properties of 6-bromo-N,N-bis(2-phenylmethoxyethyl)naphthalen-2-amine?
6-bromo-N,N-bis(2-phenylmethoxyethyl)naphthalen-2-amine has a molecular weight of 490.44 g/mol, XLogP of 6.84, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-bis(2-phenylmethoxyethyl)naphthalen-2-amine is sourced from PubChem (CID 69315378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).