4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane

C11H18N2O — CID 88803762

IUPAC4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane
SMILESC1CO1.CCNc1ccc(N)c(C)c1
InChIInChI=1S/C9H14N2.C2H4O/c1-3-11-8-4-5-9(10)7(2)6-8;1-2-3-1/h4-6,11H,3,10H2,1-2H3;1-2H2
InChIKeyJNELSYHHXNDGFC-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.03
Rot. Bonds2

About 4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane

4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane (PubChem CID 88803762) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane.

Molecular Properties

Compound Name4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane
PubChem CID88803762
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane
SMILESC1CO1.CCNc1ccc(N)c(C)c1
InChIInChI=1S/C9H14N2.C2H4O/c1-3-11-8-4-5-9(10)7(2)6-8;1-2-3-1/h4-6,11H,3,10H2,1-2H3;1-2H2
InChIKeyJNELSYHHXNDGFC-UHFFFAOYSA-N
XLogP2.03
TPSA50.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
4-bromo-N-ethyl-3-methylaniline;hydrochloride
CID 75530858
2-chloro-4-N-ethylbenzene-1,4-diamine
CID 68788899
4-N,2-diethylbenzene-1,4-diamine
CID 69192870
4-N-[2-[2-(4-amino-3-methylanilino)ethylamino]ethyl]-2-methylbenzene-1,4-diamine
CID 69450838
1-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 18957572
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine
CID 131239425
[2-amino-5-(ethylamino)phenyl]boronic acid
CID 68787472
2-methyl-4-N-(3-methylpentyl)benzene-1,4-diamine
CID 57089963
2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
CID 163790181
2-[2-amino-5-(ethylamino)phenyl]ethanol
CID 70494826

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane?
The IUPAC name of 4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane (CID 88803762) is 4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane.
What is the SMILES notation for 4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane?
The canonical SMILES for 4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane is C1CO1.CCNc1ccc(N)c(C)c1.
What is the InChIKey of 4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane?
The InChIKey is JNELSYHHXNDGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H4O/c1-3-11-8-4-5-9(10)7(2)6-8;1-2-3-1/h4-6,11H,3,10H2,1-2H3;1-2H2.
What are the key properties of 4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane?
4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane has a molecular weight of 194.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane is sourced from PubChem (CID 88803762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).