3-chloro-4-ethylaniline

C8H10ClN — CID 21189948

IUPAC3-chloro-4-ethylaniline
SMILESCCc1ccc(N)cc1Cl
InChIInChI=1S/C8H10ClN/c1-2-6-3-4-7(10)5-8(6)9/h3-5H,2,10H2,1H3
InChIKeyLBGGMEGRRIBANG-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.48
Rot. Bonds1

About 3-chloro-4-ethylaniline

3-chloro-4-ethylaniline (PubChem CID 21189948) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 3-chloro-4-ethylaniline.

Molecular Properties

Compound Name3-chloro-4-ethylaniline
PubChem CID21189948
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name3-chloro-4-ethylaniline
SMILESCCc1ccc(N)cc1Cl
InChIInChI=1S/C8H10ClN/c1-2-6-3-4-7(10)5-8(6)9/h3-5H,2,10H2,1H3
InChIKeyLBGGMEGRRIBANG-UHFFFAOYSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.48
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

3,3'-Dichloro-4,4'-Diaminodiphenylmethane
CID 7543
5-Chloro-2-methylaniline
CID 7260
3-Chloro-4-methylaniline
CID 7255
4-Chloro-2-toluidine
CID 7251
2-Chloro-p-toluidine
CID 12007
4-Ethylaniline
CID 11504
4-Butylaniline
CID 7694
4-Propylaniline
CID 75908
3-Chloro-4-methylaniline hydrochloride
CID 62651
3-Chloro-2-methylaniline
CID 6894
2-Chloro-5-methylaniline
CID 66770
3-Chloro-4-methylphenyl isocyanate
CID 62832

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethylaniline?
The IUPAC name of 3-chloro-4-ethylaniline (CID 21189948) is 3-chloro-4-ethylaniline.
What is the SMILES notation for 3-chloro-4-ethylaniline?
The canonical SMILES for 3-chloro-4-ethylaniline is CCc1ccc(N)cc1Cl.
What is the InChIKey of 3-chloro-4-ethylaniline?
The InChIKey is LBGGMEGRRIBANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-2-6-3-4-7(10)5-8(6)9/h3-5H,2,10H2,1H3.
What are the key properties of 3-chloro-4-ethylaniline?
3-chloro-4-ethylaniline has a molecular weight of 155.63 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethylaniline is sourced from PubChem (CID 21189948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).