4-N-naphthalen-1-ylbenzene-1,4-diamine

C16H14N2 — CID 4764079

IUPAC4-N-naphthalen-1-ylbenzene-1,4-diamine
SMILESNc1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C16H14N2/c17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,18H,17H2
InChIKeyJANFCFFNYNICBG-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.17
Rot. Bonds2

About 4-N-naphthalen-1-ylbenzene-1,4-diamine

4-N-naphthalen-1-ylbenzene-1,4-diamine (PubChem CID 4764079) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-N-naphthalen-1-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-naphthalen-1-ylbenzene-1,4-diamine
PubChem CID4764079
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name4-N-naphthalen-1-ylbenzene-1,4-diamine
SMILESNc1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C16H14N2/c17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,18H,17H2
InChIKeyJANFCFFNYNICBG-UHFFFAOYSA-N
XLogP4.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-naphthalen-1-ylbenzene-1,4-diamine?
The IUPAC name of 4-N-naphthalen-1-ylbenzene-1,4-diamine (CID 4764079) is 4-N-naphthalen-1-ylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-naphthalen-1-ylbenzene-1,4-diamine?
The canonical SMILES for 4-N-naphthalen-1-ylbenzene-1,4-diamine is Nc1ccc(Nc2cccc3ccccc23)cc1.
What is the InChIKey of 4-N-naphthalen-1-ylbenzene-1,4-diamine?
The InChIKey is JANFCFFNYNICBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,18H,17H2.
What are the key properties of 4-N-naphthalen-1-ylbenzene-1,4-diamine?
4-N-naphthalen-1-ylbenzene-1,4-diamine has a molecular weight of 234.30 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-naphthalen-1-ylbenzene-1,4-diamine is sourced from PubChem (CID 4764079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).