4-(4-chloro-2-methylphenyl)-2-ethylaniline

C15H16ClN — CID 172652422

IUPAC4-(4-chloro-2-methylphenyl)-2-ethylaniline
SMILESCCc1cc(-c2ccc(Cl)cc2C)ccc1N
InChIInChI=1S/C15H16ClN/c1-3-11-9-12(4-7-15(11)17)14-6-5-13(16)8-10(14)2/h4-9H,3,17H2,1-2H3
InChIKeyKSHIFFKAUUNODI-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.46
Rot. Bonds2

About 4-(4-chloro-2-methylphenyl)-2-ethylaniline

4-(4-chloro-2-methylphenyl)-2-ethylaniline (PubChem CID 172652422) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenyl)-2-ethylaniline.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenyl)-2-ethylaniline
PubChem CID172652422
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name4-(4-chloro-2-methylphenyl)-2-ethylaniline
SMILESCCc1cc(-c2ccc(Cl)cc2C)ccc1N
InChIInChI=1S/C15H16ClN/c1-3-11-9-12(4-7-15(11)17)14-6-5-13(16)8-10(14)2/h4-9H,3,17H2,1-2H3
InChIKeyKSHIFFKAUUNODI-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.46
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

4-(4-chloro-2-fluorophenyl)-2-ethylaniline
CID 81288774
4-(4-chloro-2-methylphenyl)-2-methylaniline
CID 172652420
6-[5-(4-chloro-2-methylphenyl)-2-ethylphenyl]-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
CID 91295744
bis(4-(4-amino-3-ethylphenyl)-2-ethylaniline);hydrate
CID 174861024
4-(3,4-dimethylphenyl)-2-ethylaniline
CID 81287148
2-ethyl-4-(2,4,5-trifluorophenyl)aniline
CID 115503112
2-ethyl-4-(3-fluoro-2-methylphenyl)aniline
CID 113324468
2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene
CID 70919846
3-(4-chloro-2-methylphenyl)aniline
CID 172652401
2-[5-(4-chloro-2-methylphenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one
CID 58502799
1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene
CID 129016588
4-[5-(4-chloro-2-methylphenyl)-2-ethylphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one
CID 58515677

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenyl)-2-ethylaniline?
The IUPAC name of 4-(4-chloro-2-methylphenyl)-2-ethylaniline (CID 172652422) is 4-(4-chloro-2-methylphenyl)-2-ethylaniline.
What is the SMILES notation for 4-(4-chloro-2-methylphenyl)-2-ethylaniline?
The canonical SMILES for 4-(4-chloro-2-methylphenyl)-2-ethylaniline is CCc1cc(-c2ccc(Cl)cc2C)ccc1N.
What is the InChIKey of 4-(4-chloro-2-methylphenyl)-2-ethylaniline?
The InChIKey is KSHIFFKAUUNODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-3-11-9-12(4-7-15(11)17)14-6-5-13(16)8-10(14)2/h4-9H,3,17H2,1-2H3.
What are the key properties of 4-(4-chloro-2-methylphenyl)-2-ethylaniline?
4-(4-chloro-2-methylphenyl)-2-ethylaniline has a molecular weight of 245.75 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenyl)-2-ethylaniline is sourced from PubChem (CID 172652422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).