1-N-[4-[ethyl(methyl)amino]phenyl]-4-N,4-N-dimethylnaphthalene-1,4-diamine

C21H25N3 — CID 123834130

IUPAC1-N-[4-[ethyl(methyl)amino]phenyl]-4-N,4-N-dimethylnaphthalene-1,4-diamine
SMILESCCN(C)c1ccc(Nc2ccc(N(C)C)c3ccccc23)cc1
InChIInChI=1S/C21H25N3/c1-5-24(4)17-12-10-16(11-13-17)22-20-14-15-21(23(2)3)19-9-7-6-8-18(19)20/h6-15,22H,5H2,1-4H3
InChIKeyJNUDSQSRAQBDBH-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.11
Rot. Bonds5

About 1-N-[4-[ethyl(methyl)amino]phenyl]-4-N,4-N-dimethylnaphthalene-1,4-diamine

1-N-[4-[ethyl(methyl)amino]phenyl]-4-N,4-N-dimethylnaphthalene-1,4-diamine (PubChem CID 123834130) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-N-[4-[ethyl(methyl)amino]phenyl]-4-N,4-N-dimethylnaphthalene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-[ethyl(methyl)amino]phenyl]-4-N,4-N-dimethylnaphthalene-1,4-diamine
PubChem CID123834130
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name1-N-[4-[ethyl(methyl)amino]phenyl]-4-N,4-N-dimethylnaphthalene-1,4-diamine
SMILESCCN(C)c1ccc(Nc2ccc(N(C)C)c3ccccc23)cc1
InChIInChI=1S/C21H25N3/c1-5-24(4)17-12-10-16(11-13-17)22-20-14-15-21(23(2)3)19-9-7-6-8-18(19)20/h6-15,22H,5H2,1-4H3
InChIKeyJNUDSQSRAQBDBH-UHFFFAOYSA-N
XLogP5.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[ethyl(methyl)amino]phenyl]-4-N,4-N-dimethylnaphthalene-1,4-diamine?
The IUPAC name of 1-N-[4-[ethyl(methyl)amino]phenyl]-4-N,4-N-dimethylnaphthalene-1,4-diamine (CID 123834130) is 1-N-[4-[ethyl(methyl)amino]phenyl]-4-N,4-N-dimethylnaphthalene-1,4-diamine.
What is the SMILES notation for 1-N-[4-[ethyl(methyl)amino]phenyl]-4-N,4-N-dimethylnaphthalene-1,4-diamine?
The canonical SMILES for 1-N-[4-[ethyl(methyl)amino]phenyl]-4-N,4-N-dimethylnaphthalene-1,4-diamine is CCN(C)c1ccc(Nc2ccc(N(C)C)c3ccccc23)cc1.
What is the InChIKey of 1-N-[4-[ethyl(methyl)amino]phenyl]-4-N,4-N-dimethylnaphthalene-1,4-diamine?
The InChIKey is JNUDSQSRAQBDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-5-24(4)17-12-10-16(11-13-17)22-20-14-15-21(23(2)3)19-9-7-6-8-18(19)20/h6-15,22H,5H2,1-4H3.
What are the key properties of 1-N-[4-[ethyl(methyl)amino]phenyl]-4-N,4-N-dimethylnaphthalene-1,4-diamine?
1-N-[4-[ethyl(methyl)amino]phenyl]-4-N,4-N-dimethylnaphthalene-1,4-diamine has a molecular weight of 319.45 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-[ethyl(methyl)amino]phenyl]-4-N,4-N-dimethylnaphthalene-1,4-diamine is sourced from PubChem (CID 123834130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).