4-(3-chloroprop-1-enyl)-2-ethylaniline

C11H14ClN — CID 169477351

IUPAC4-(3-chloroprop-1-enyl)-2-ethylaniline
SMILESCCc1cc(C=CCCl)ccc1N
InChIInChI=1S/C11H14ClN/c1-2-10-8-9(4-3-7-12)5-6-11(10)13/h3-6,8H,2,7,13H2,1H3
InChIKeyYNQJMRNLKNDBTN-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.08
Rot. Bonds3

About 4-(3-chloroprop-1-enyl)-2-ethylaniline

4-(3-chloroprop-1-enyl)-2-ethylaniline (PubChem CID 169477351) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 4-(3-chloroprop-1-enyl)-2-ethylaniline.

Molecular Properties

Compound Name4-(3-chloroprop-1-enyl)-2-ethylaniline
PubChem CID169477351
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name4-(3-chloroprop-1-enyl)-2-ethylaniline
SMILESCCc1cc(C=CCCl)ccc1N
InChIInChI=1S/C11H14ClN/c1-2-10-8-9(4-3-7-12)5-6-11(10)13/h3-6,8H,2,7,13H2,1H3
InChIKeyYNQJMRNLKNDBTN-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloroprop-1-enyl)-2-nitroaniline
CID 169477663
[5-(3-chloroprop-1-enyl)-2-methylphenyl]methanol
CID 169477252
5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline
CID 169477911
5-(3-chloroprop-1-enyl)pyridine-2,3-diamine
CID 169477134
[2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol
CID 169463643
2-bromo-4-(3-chloroprop-1-enyl)-1-methylbenzene
CID 169478305
2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene
CID 106819246
[4-[(E)-3-chloroprop-1-enyl]phenyl] acetate
CID 22770523
bis(4-(4-amino-3-ethylphenyl)-2-ethylaniline);hydrate
CID 174861024
S-[4-[4-amino-3-(hydroxymethyl)phenyl]but-3-enyl] ethanethioate
CID 170480198
2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide
CID 169477944
2-[(E)-3-chloroprop-1-enyl]naphthalene
CID 12965767

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroprop-1-enyl)-2-ethylaniline?
The IUPAC name of 4-(3-chloroprop-1-enyl)-2-ethylaniline (CID 169477351) is 4-(3-chloroprop-1-enyl)-2-ethylaniline.
What is the SMILES notation for 4-(3-chloroprop-1-enyl)-2-ethylaniline?
The canonical SMILES for 4-(3-chloroprop-1-enyl)-2-ethylaniline is CCc1cc(C=CCCl)ccc1N.
What is the InChIKey of 4-(3-chloroprop-1-enyl)-2-ethylaniline?
The InChIKey is YNQJMRNLKNDBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-2-10-8-9(4-3-7-12)5-6-11(10)13/h3-6,8H,2,7,13H2,1H3.
What are the key properties of 4-(3-chloroprop-1-enyl)-2-ethylaniline?
4-(3-chloroprop-1-enyl)-2-ethylaniline has a molecular weight of 195.69 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroprop-1-enyl)-2-ethylaniline is sourced from PubChem (CID 169477351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).