4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine

C18H18N2 — CID 82536280

IUPAC4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H18N2/c1-20(2)18-11-9-16(10-12-18)19-17-8-7-14-5-3-4-6-15(14)13-17/h3-13,19H,1-2H3
InChIKeyIMHDFZBBIPEIAA-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.65
Rot. Bonds3

About 4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine

4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine (PubChem CID 82536280) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine
PubChem CID82536280
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H18N2/c1-20(2)18-11-9-16(10-12-18)19-17-8-7-14-5-3-4-6-15(14)13-17/h3-13,19H,1-2H3
InChIKeyIMHDFZBBIPEIAA-UHFFFAOYSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-2-amine
CID 70584569
2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
N-pentacen-2-ylpentacen-2-amine
CID 91227915
N,N-dimethyl-4-naphthalen-2-ylaniline
CID 46854357
N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine
CID 145088499
nonane;N-phenylnaphthalen-2-amine
CID 159912384
4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline
CID 141200555
N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide
CID 3938895
4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine
CID 121372627
N-[4-(4-anilinophenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 22389712
6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 156573110

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine (CID 82536280) is 4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine is CN(C)c1ccc(Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine?
The InChIKey is IMHDFZBBIPEIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-20(2)18-11-9-16(10-12-18)19-17-8-7-14-5-3-4-6-15(14)13-17/h3-13,19H,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine has a molecular weight of 262.36 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 82536280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).