2-ethenyl-5-ethylaniline

C10H13N — CID 142605746

IUPAC2-ethenyl-5-ethylaniline
SMILESC=Cc1ccc(CC)cc1N
InChIInChI=1S/C10H13N/c1-3-8-5-6-9(4-2)10(11)7-8/h4-7H,2-3,11H2,1H3
InChIKeyAOMBCYNUKVJXCY-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.47
Rot. Bonds2

About 2-ethenyl-5-ethylaniline

2-ethenyl-5-ethylaniline (PubChem CID 142605746) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-ethenyl-5-ethylaniline.

Molecular Properties

Compound Name2-ethenyl-5-ethylaniline
PubChem CID142605746
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2-ethenyl-5-ethylaniline
SMILESC=Cc1ccc(CC)cc1N
InChIInChI=1S/C10H13N/c1-3-8-5-6-9(4-2)10(11)7-8/h4-7H,2-3,11H2,1H3
InChIKeyAOMBCYNUKVJXCY-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-4-ethenylphenyl)acetic acid
CID 54099246
1,2-bis(ethenyl)-4-(4-ethylphenyl)benzene
CID 156753876
4-ethenyl-2,3-diethylaniline
CID 70188085
ethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene
CID 142526011
5-ethyl-2-fluoroaniline
CID 10630567
2-ethenyl-4-ethyl-1-pentan-3-ylbenzene
CID 123878875
4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine
CID 154137227
2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline
CID 70555011
2-bromo-5-ethylaniline;hydrochloride
CID 126796901
1,2-bis(ethenyl)-4-propylbenzene
CID 142025634
3-(2-amino-5-ethylphenyl)prop-2-enal
CID 169459104
2-(4-ethenyl-3-ethylphenyl)acetic acid
CID 143512870

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-ethylaniline?
The IUPAC name of 2-ethenyl-5-ethylaniline (CID 142605746) is 2-ethenyl-5-ethylaniline.
What is the SMILES notation for 2-ethenyl-5-ethylaniline?
The canonical SMILES for 2-ethenyl-5-ethylaniline is C=Cc1ccc(CC)cc1N.
What is the InChIKey of 2-ethenyl-5-ethylaniline?
The InChIKey is AOMBCYNUKVJXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-8-5-6-9(4-2)10(11)7-8/h4-7H,2-3,11H2,1H3.
What are the key properties of 2-ethenyl-5-ethylaniline?
2-ethenyl-5-ethylaniline has a molecular weight of 147.22 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-ethylaniline is sourced from PubChem (CID 142605746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).