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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Related Compounds

N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 69417086
1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine
CID 142741242
4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine
CID 90757689
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
5-N-naphthalen-1-ylpyridine-3,5-diamine
CID 104532218
phenol;N-phenylnaphthalen-1-amine
CID 159146578
N-naphthalen-1-ylphenanthren-2-amine
CID 139983977
N-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine
CID 154127820
4-N-benzo[a]anthracen-1-ylbenzene-1,4-diamine
CID 87352642
benzylbenzene;ethane;bis(N-phenylnaphthalen-1-amine)
CID 157375605
N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine
CID 18331969

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).