1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine

C14H25N3 — CID 143231835

IUPAC1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine
SMILESCCN(C)CCN(CC)c1ccc(N)cc1C
InChIInChI=1S/C14H25N3/c1-5-16(4)9-10-17(6-2)14-8-7-13(15)11-12(14)3/h7-8,11H,5-6,9-10,15H2,1-4H3
InChIKeyNEWCHMPPHZSRGL-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.36
Rot. Bonds6

About 1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine

1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine (PubChem CID 143231835) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine
PubChem CID143231835
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine
SMILESCCN(C)CCN(CC)c1ccc(N)cc1C
InChIInChI=1S/C14H25N3/c1-5-16(4)9-10-17(6-2)14-8-7-13(15)11-12(14)3/h7-8,11H,5-6,9-10,15H2,1-4H3
InChIKeyNEWCHMPPHZSRGL-UHFFFAOYSA-N
XLogP2.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine
CID 63698245
1-N-ethyl-2-methyl-1-N-propylbenzene-1,4-diamine;methanesulfonamide
CID 70576933
N-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide
CID 142240260
2-(4-amino-N-butyl-2-methylanilino)acetamide
CID 55002760
2-(4-amino-N,2-dimethylanilino)propan-1-ol
CID 104551064
1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 62003547
4-(2-aminoethyl)-N-butyl-N-ethyl-2-methylaniline
CID 63782866
1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine
CID 131048042
1-N-(2,4-dimethylphenyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62003179
1-N-(3-methoxypropyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62985550
1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane
CID 170720348
2-(4-amino-N,2-dimethylanilino)acetic acid
CID 62253488

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine (CID 143231835) is 1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine is CCN(C)CCN(CC)c1ccc(N)cc1C.
What is the InChIKey of 1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine?
The InChIKey is NEWCHMPPHZSRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-16(4)9-10-17(6-2)14-8-7-13(15)11-12(14)3/h7-8,11H,5-6,9-10,15H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine?
1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 143231835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).