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

C11H16N2O — CID 89302856

IUPAC4-(1-ethoxyethenyl)-1-N-methylbenzene-1,2-diamine
SMILESC=C(OCC)c1ccc(NC)c(N)c1
InChIInChI=1S/C11H16N2O/c1-4-14-8(2)9-5-6-11(13-3)10(12)7-9/h5-7,13H,2,4,12H2,1,3H3
InChIKeyFBVOWUZDPIMPKP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.32
Rot. Bonds4

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

4-(1-ethoxyethenyl)-1-N-methylbenzene-1,2-diamine (PubChem CID 89302856) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(1-ethoxyethenyl)-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-(1-ethoxyethenyl)-1-N-methylbenzene-1,2-diamine
PubChem CID89302856
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-(1-ethoxyethenyl)-1-N-methylbenzene-1,2-diamine
SMILESC=C(OCC)c1ccc(NC)c(N)c1
InChIInChI=1S/C11H16N2O/c1-4-14-8(2)9-5-6-11(13-3)10(12)7-9/h5-7,13H,2,4,12H2,1,3H3
InChIKeyFBVOWUZDPIMPKP-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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

1-[4-(Methoxymethyl)phenyl]piperazine
CID 19958502
N-methyl-1,3-dihydro-2-benzofuran-5-amine
CID 23544376
p-Dimethylaminobenzyl ethyl ether
CID 129806788
4-(tert-butoxymethyl)-N-(3-methylbutan-2-yl)aniline
CID 132222941
N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline
CID 100686166
1-[2-Fluoro-4-(1-methoxyethyl)phenyl]piperazine
CID 20785259
1-[2-Fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine
CID 20785262
1-[2-Fluoro-4-(methoxymethyl)phenyl]piperazine
CID 20785274
1-[4-(Ethoxymethyl)-2-fluorophenyl]piperazine
CID 20785343
1,1,3,3-tetrafluoro-N-methyl-1,3-dihydroisobenzofuran-5,6-diamine
CID 58056765
1-[4-(2-Fluoroethoxymethyl)phenyl]piperazine
CID 59470550
2-fluoro-5-(methoxymethyl)-N-methylaniline
CID 67814988

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethenyl)-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-(1-ethoxyethenyl)-1-N-methylbenzene-1,2-diamine (CID 89302856) is 4-(1-ethoxyethenyl)-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-(1-ethoxyethenyl)-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-(1-ethoxyethenyl)-1-N-methylbenzene-1,2-diamine is C=C(OCC)c1ccc(NC)c(N)c1.
What is the InChIKey of 4-(1-ethoxyethenyl)-1-N-methylbenzene-1,2-diamine?
The InChIKey is FBVOWUZDPIMPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-14-8(2)9-5-6-11(13-3)10(12)7-9/h5-7,13H,2,4,12H2,1,3H3.
What are the key properties of 4-(1-ethoxyethenyl)-1-N-methylbenzene-1,2-diamine?
4-(1-ethoxyethenyl)-1-N-methylbenzene-1,2-diamine has a molecular weight of 192.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethenyl)-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 89302856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).