4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine

C20H15N — CID 164939306

IUPAC4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine
SMILES[2H]c1cc(N)cc2ccc(-c3ccc4ccccc4c3)cc12
InChIInChI=1S/C20H15N/c21-20-10-9-18-12-17(7-8-19(18)13-20)16-6-5-14-3-1-2-4-15(14)11-16/h1-13H,21H2/i9D
InChIKeyTXCIZPPJISLZTP-QOWOAITPSA-N
MW270.35 g/mol
LogP5.24
Rot. Bonds1

About 4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine

4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine (PubChem CID 164939306) has the molecular formula C20H15N and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

Compound Name4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine
PubChem CID164939306
Molecular FormulaC20H15N
Molecular Weight270.35 g/mol
Exact Mass270.13
IUPAC Name4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine
SMILES[2H]c1cc(N)cc2ccc(-c3ccc4ccccc4c3)cc12
InChIInChI=1S/C20H15N/c21-20-10-9-18-12-17(7-8-19(18)13-20)16-6-5-14-3-1-2-4-15(14)11-16/h1-13H,21H2/i9D
InChIKeyTXCIZPPJISLZTP-QOWOAITPSA-N
XLogP5.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.35
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;naphthalen-2-amine
CID 70389802
4-(9,10-dideuterioanthracen-2-yl)aniline
CID 165150289
aniline;naphthalen-2-amine
CID 158733233
benzo[f]azulene
CID 13065869
ethane;4-naphthalen-2-ylaniline;prop-1-ene
CID 145312998
5-naphthalen-2-ylpyrimidin-2-amine
CID 139194225
2-methyl-4-naphthalen-2-ylaniline
CID 54912511
2-(4-naphthalen-2-ylphenyl)aniline
CID 150273295
2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine
CID 164970097
1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 156625068
1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)anthracene
CID 167407292
2-bromonaphthalene;naphthalen-2-amine
CID 173256216

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine?
The IUPAC name of 4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine (CID 164939306) is 4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine.
What is the SMILES notation for 4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine?
The canonical SMILES for 4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine is [2H]c1cc(N)cc2ccc(-c3ccc4ccccc4c3)cc12.
What is the InChIKey of 4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine?
The InChIKey is TXCIZPPJISLZTP-QOWOAITPSA-N. The full InChI is InChI=1S/C20H15N/c21-20-10-9-18-12-17(7-8-19(18)13-20)16-6-5-14-3-1-2-4-15(14)11-16/h1-13H,21H2/i9D.
What are the key properties of 4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine?
4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine has a molecular weight of 270.35 g/mol, XLogP of 5.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 164939306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).