4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine

C18H18N2O — CID 44580890

IUPAC4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine
SMILESCOc1ccc(N(C)c2ccc(N)c3ccccc23)cc1
InChIInChI=1S/C18H18N2O/c1-20(13-7-9-14(21-2)10-8-13)18-12-11-17(19)15-5-3-4-6-16(15)18/h3-12H,19H2,1-2H3
InChIKeyXWCXDODNVXGRIJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.20
Rot. Bonds3

About 4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine

4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine (PubChem CID 44580890) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine
PubChem CID44580890
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine
SMILESCOc1ccc(N(C)c2ccc(N)c3ccccc23)cc1
InChIInChI=1S/C18H18N2O/c1-20(13-7-9-14(21-2)10-8-13)18-12-11-17(19)15-5-3-4-6-16(15)18/h3-12H,19H2,1-2H3
InChIKeyXWCXDODNVXGRIJ-UHFFFAOYSA-N
XLogP4.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

n-(4-Methoxyphenyl)naphthalen-1-amine
CID 237065
N,N'-(1,4-Phenylenedimethylidyne)DI-P-anisidine
CID 4294941
1-(7-Methoxynaphthalen-1-yl)piperazine
CID 14566720
4-methoxy-N-(4-methoxyphenyl)-1-naphthalenamine
CID 16223589
N-[2-(4-methoxyphenyl)ethyl]-N'-1-naphthylthiourea
CID 1121653
5-Amino-2-[4-(4-methoxyphenyl)piperazin-1-yl]benzonitrile
CID 3236633
1-[4-(3-Methoxy-phenyl)-cyclohex-3-enyl]-4-naphthalen-1-yl-piperazine
CID 10862233
4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine
CID 44580869
N-(4-methoxyphenyl)-N-methyl-4-nitronaphthalen-1-amine
CID 44580871
4-Cyclohexyl-1-[N-(5-methoxynaphthalen-1-yl)-2-aminoethyl]-piperazine
CID 51003168
N-[4-(dimethylamino)-1-naphthyl]-2-(4-methoxyphenyl)acetamide
CID 881115
2-[(2-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide
CID 2548868

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine (CID 44580890) is 4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine is COc1ccc(N(C)c2ccc(N)c3ccccc23)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine?
The InChIKey is XWCXDODNVXGRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-20(13-7-9-14(21-2)10-8-13)18-12-11-17(19)15-5-3-4-6-16(15)18/h3-12H,19H2,1-2H3.
What are the key properties of 4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine?
4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine has a molecular weight of 278.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine is sourced from PubChem (CID 44580890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).