1,5-bis(2-aminophenyl)naphthalene-2,6-diamine

C22H20N4 — CID 58471762

IUPAC1,5-bis(2-aminophenyl)naphthalene-2,6-diamine
SMILESNc1ccccc1-c1c(N)ccc2c(-c3ccccc3N)c(N)ccc12
InChIInChI=1S/C22H20N4/c23-17-7-3-1-5-15(17)21-13-9-12-20(26)22(14(13)10-11-19(21)25)16-6-2-4-8-18(16)24/h1-12H,23-26H2
InChIKeyUNNQBMNJXSARKN-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.50
Rot. Bonds2

About 1,5-bis(2-aminophenyl)naphthalene-2,6-diamine

1,5-bis(2-aminophenyl)naphthalene-2,6-diamine (PubChem CID 58471762) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1,5-bis(2-aminophenyl)naphthalene-2,6-diamine.

Molecular Properties

Compound Name1,5-bis(2-aminophenyl)naphthalene-2,6-diamine
PubChem CID58471762
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name1,5-bis(2-aminophenyl)naphthalene-2,6-diamine
SMILESNc1ccccc1-c1c(N)ccc2c(-c3ccccc3N)c(N)ccc12
InChIInChI=1S/C22H20N4/c23-17-7-3-1-5-15(17)21-13-9-12-20(26)22(14(13)10-11-19(21)25)16-6-2-4-8-18(16)24/h1-12H,23-26H2
InChIKeyUNNQBMNJXSARKN-UHFFFAOYSA-N
XLogP4.50
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-aminophenyl)naphthalene-2,6-diamine?
The IUPAC name of 1,5-bis(2-aminophenyl)naphthalene-2,6-diamine (CID 58471762) is 1,5-bis(2-aminophenyl)naphthalene-2,6-diamine.
What is the SMILES notation for 1,5-bis(2-aminophenyl)naphthalene-2,6-diamine?
The canonical SMILES for 1,5-bis(2-aminophenyl)naphthalene-2,6-diamine is Nc1ccccc1-c1c(N)ccc2c(-c3ccccc3N)c(N)ccc12.
What is the InChIKey of 1,5-bis(2-aminophenyl)naphthalene-2,6-diamine?
The InChIKey is UNNQBMNJXSARKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c23-17-7-3-1-5-15(17)21-13-9-12-20(26)22(14(13)10-11-19(21)25)16-6-2-4-8-18(16)24/h1-12H,23-26H2.
What are the key properties of 1,5-bis(2-aminophenyl)naphthalene-2,6-diamine?
1,5-bis(2-aminophenyl)naphthalene-2,6-diamine has a molecular weight of 340.43 g/mol, XLogP of 4.50, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-aminophenyl)naphthalene-2,6-diamine is sourced from PubChem (CID 58471762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).