4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine

C14H24N2O — CID 67946748

IUPAC4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine
SMILESCCC(CN(CC)c1ccc(N)c(C)c1)OC
InChIInChI=1S/C14H24N2O/c1-5-13(17-4)10-16(6-2)12-7-8-14(15)11(3)9-12/h7-9,13H,5-6,10,15H2,1-4H3
InChIKeyUKJBOBQDNFOXIG-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.83
Rot. Bonds6

About 4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine

4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine (PubChem CID 67946748) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine
PubChem CID67946748
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine
SMILESCCC(CN(CC)c1ccc(N)c(C)c1)OC
InChIInChI=1S/C14H24N2O/c1-5-13(17-4)10-16(6-2)12-7-8-14(15)11(3)9-12/h7-9,13H,5-6,10,15H2,1-4H3
InChIKeyUKJBOBQDNFOXIG-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.83
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

2-(4-amino-N-ethyl-3-methylanilino)acetamide
CID 54103671
4-N-ethyl-2-methyl-4-N-(2-trimethylsilyloxyethyl)benzene-1,4-diamine
CID 91723976
4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine
CID 54987138
ethyl 2-amino-5-[ethyl(2-ethylbutyl)amino]benzoate
CID 63423704
4-N-[4-(4-amino-N-(4-amino-3-methylphenyl)-3-methylanilino)phenyl]-4-N-(4-amino-3-methylphenyl)-2-methylbenzene-1,4-diamine
CID 89352513
ethyl 2-amino-5-[ethyl(2-methylpropyl)amino]benzoate
CID 61307468
2-(4-amino-N-ethyl-3-methylanilino)ethyl nitrate
CID 131700851
4-N-butoxy-4-N-ethyl-2-methylbenzene-1,4-diamine
CID 21276622
1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone
CID 104612406
N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride
CID 23320322
4-(bromomethyl)-N-ethyl-3-methyl-N-(2-methylbutyl)aniline
CID 107084418
4-(1-methoxyethyl)-2-methylaniline
CID 123996118

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine (CID 67946748) is 4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine is CCC(CN(CC)c1ccc(N)c(C)c1)OC.
What is the InChIKey of 4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine?
The InChIKey is UKJBOBQDNFOXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-13(17-4)10-16(6-2)12-7-8-14(15)11(3)9-12/h7-9,13H,5-6,10,15H2,1-4H3.
What are the key properties of 4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine?
4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 67946748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).