2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline

C18H22N2 — CID 70555011

IUPAC2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline
SMILESC=C(c1ccc(CC)cc1N)c1ccc(CC)cc1N
InChIInChI=1S/C18H22N2/c1-4-13-6-8-15(17(19)10-13)12(3)16-9-7-14(5-2)11-18(16)20/h6-11H,3-5,19-20H2,1-2H3
InChIKeyZCJGCHCQWUBAHB-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.04
Rot. Bonds4

About 2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline

2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline (PubChem CID 70555011) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline.

Molecular Properties

Compound Name2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline
PubChem CID70555011
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline
SMILESC=C(c1ccc(CC)cc1N)c1ccc(CC)cc1N
InChIInChI=1S/C18H22N2/c1-4-13-6-8-15(17(19)10-13)12(3)16-9-7-14(5-2)11-18(16)20/h6-11H,3-5,19-20H2,1-2H3
InChIKeyZCJGCHCQWUBAHB-UHFFFAOYSA-N
XLogP4.04
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline?
The IUPAC name of 2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline (CID 70555011) is 2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline.
What is the SMILES notation for 2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline?
The canonical SMILES for 2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline is C=C(c1ccc(CC)cc1N)c1ccc(CC)cc1N.
What is the InChIKey of 2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline?
The InChIKey is ZCJGCHCQWUBAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-4-13-6-8-15(17(19)10-13)12(3)16-9-7-14(5-2)11-18(16)20/h6-11H,3-5,19-20H2,1-2H3.
What are the key properties of 2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline?
2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline has a molecular weight of 266.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline is sourced from PubChem (CID 70555011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).