1-N-(1-ethoxyethenyl)-2-methylbenzene-1,4-diamine

C11H16N2O — CID 144511805

IUPAC1-N-(1-ethoxyethenyl)-2-methylbenzene-1,4-diamine
SMILESC=C(Nc1ccc(N)cc1C)OCC
InChIInChI=1S/C11H16N2O/c1-4-14-9(3)13-11-6-5-10(12)7-8(11)2/h5-7,13H,3-4,12H2,1-2H3
InChIKeyCHXJXZRVEDKUMI-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.50
Rot. Bonds4

About 1-N-(1-ethoxyethenyl)-2-methylbenzene-1,4-diamine

1-N-(1-ethoxyethenyl)-2-methylbenzene-1,4-diamine (PubChem CID 144511805) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-N-(1-ethoxyethenyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(1-ethoxyethenyl)-2-methylbenzene-1,4-diamine
PubChem CID144511805
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-N-(1-ethoxyethenyl)-2-methylbenzene-1,4-diamine
SMILESC=C(Nc1ccc(N)cc1C)OCC
InChIInChI=1S/C11H16N2O/c1-4-14-9(3)13-11-6-5-10(12)7-8(11)2/h5-7,13H,3-4,12H2,1-2H3
InChIKeyCHXJXZRVEDKUMI-UHFFFAOYSA-N
XLogP2.50
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 839309
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N-(4-amino-2-methylphenyl)-2-methylpropanamide
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N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide
CID 43382336
ethyl 4-(4-amino-2-methylanilino)butanoate
CID 58596159
1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine
CID 65039825
N-(4-amino-2-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]acetamide
CID 43588199
1-N-iodo-2-methylbenzene-1,4-diamine
CID 163574989
N-(4-amino-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
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N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-N-(1-ethoxyethenyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(1-ethoxyethenyl)-2-methylbenzene-1,4-diamine (CID 144511805) is 1-N-(1-ethoxyethenyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(1-ethoxyethenyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(1-ethoxyethenyl)-2-methylbenzene-1,4-diamine is C=C(Nc1ccc(N)cc1C)OCC.
What is the InChIKey of 1-N-(1-ethoxyethenyl)-2-methylbenzene-1,4-diamine?
The InChIKey is CHXJXZRVEDKUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-14-9(3)13-11-6-5-10(12)7-8(11)2/h5-7,13H,3-4,12H2,1-2H3.
What are the key properties of 1-N-(1-ethoxyethenyl)-2-methylbenzene-1,4-diamine?
1-N-(1-ethoxyethenyl)-2-methylbenzene-1,4-diamine has a molecular weight of 192.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-ethoxyethenyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 144511805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).