4-ethoxy-N-(3-methylbut-3-enyl)aniline

C13H19NO — CID 114471877

IUPAC4-ethoxy-N-(3-methylbut-3-enyl)aniline
SMILESC=C(C)CCNc1ccc(OCC)cc1
InChIInChI=1S/C13H19NO/c1-4-15-13-7-5-12(6-8-13)14-10-9-11(2)3/h5-8,14H,2,4,9-10H2,1,3H3
InChIKeyIYPIAENJILKBCL-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.46
Rot. Bonds6

About 4-ethoxy-N-(3-methylbut-3-enyl)aniline

4-ethoxy-N-(3-methylbut-3-enyl)aniline (PubChem CID 114471877) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-ethoxy-N-(3-methylbut-3-enyl)aniline.

Molecular Properties

Compound Name4-ethoxy-N-(3-methylbut-3-enyl)aniline
PubChem CID114471877
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-ethoxy-N-(3-methylbut-3-enyl)aniline
SMILESC=C(C)CCNc1ccc(OCC)cc1
InChIInChI=1S/C13H19NO/c1-4-15-13-7-5-12(6-8-13)14-10-9-11(2)3/h5-8,14H,2,4,9-10H2,1,3H3
InChIKeyIYPIAENJILKBCL-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbut-3-enyl)-4-phenoxyaniline
CID 114471890
N-(2-chloroprop-2-enyl)-4-ethoxyaniline
CID 60679510
3-(4-acetylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039871
N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine
CID 54805794
N-(3-methylbut-3-enyl)-4-(trifluoromethyl)aniline
CID 114471916
4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561328
4-ethoxy-N-(3-ethoxypropyl)aniline
CID 65176310
N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035452
3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039917
N-(3-methylbut-3-enyl)-4-methylsulfonylaniline
CID 114471944
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
N'-[4-(2-methylprop-2-enoxy)phenyl]butane-1,4-diamine
CID 117097538

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-methylbut-3-enyl)aniline?
The IUPAC name of 4-ethoxy-N-(3-methylbut-3-enyl)aniline (CID 114471877) is 4-ethoxy-N-(3-methylbut-3-enyl)aniline.
What is the SMILES notation for 4-ethoxy-N-(3-methylbut-3-enyl)aniline?
The canonical SMILES for 4-ethoxy-N-(3-methylbut-3-enyl)aniline is C=C(C)CCNc1ccc(OCC)cc1.
What is the InChIKey of 4-ethoxy-N-(3-methylbut-3-enyl)aniline?
The InChIKey is IYPIAENJILKBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-15-13-7-5-12(6-8-13)14-10-9-11(2)3/h5-8,14H,2,4,9-10H2,1,3H3.
What are the key properties of 4-ethoxy-N-(3-methylbut-3-enyl)aniline?
4-ethoxy-N-(3-methylbut-3-enyl)aniline has a molecular weight of 205.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-methylbut-3-enyl)aniline is sourced from PubChem (CID 114471877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).