3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline

C10H13ClFN — CID 166756160

IUPAC3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline
SMILESCCc1c(N)c(C)c(C)c(F)c1Cl
InChIInChI=1S/C10H13ClFN/c1-4-7-8(11)9(12)5(2)6(3)10(7)13/h4,13H2,1-3H3
InChIKeyXMBXTYSWLIUYSL-UHFFFAOYSA-N
MW201.67 g/mol
LogP3.24
Rot. Bonds1

About 3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline

3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline (PubChem CID 166756160) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline.

Molecular Properties

Compound Name3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline
PubChem CID166756160
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline
SMILESCCc1c(N)c(C)c(C)c(F)c1Cl
InChIInChI=1S/C10H13ClFN/c1-4-7-8(11)9(12)5(2)6(3)10(7)13/h4,13H2,1-3H3
InChIKeyXMBXTYSWLIUYSL-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 53.24
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

2,5-dichloro-6-ethyl-3,4-difluoroaniline
CID 167081785
1-chloro-2-ethyl-3,5,6-trifluoro-4-methylbenzene
CID 166765212
1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene
CID 167152424
1-chloro-2,3,6-trifluoro-4,5-dimethylbenzene
CID 175248816
4,5-diethyl-3,6-dimethylbenzene-1,2-diamine
CID 174838412
4-chloro-2,6-diethyl-3,5-dimethylphenol
CID 175454218
4-chloro-2-ethyl-3-fluoroaniline
CID 134444327
1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene
CID 163849495
1-chloro-3-ethyl-2-fluoro-4-iodobenzene
CID 164893690
2,4,5-trifluoro-3,6-dimethylaniline
CID 23359007
5-chloro-4-fluoro-2,3-dimethyl-6-prop-2-enylphenol
CID 130034498
1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene
CID 144965561

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline?
The IUPAC name of 3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline (CID 166756160) is 3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline.
What is the SMILES notation for 3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline?
The canonical SMILES for 3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline is CCc1c(N)c(C)c(C)c(F)c1Cl.
What is the InChIKey of 3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline?
The InChIKey is XMBXTYSWLIUYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-4-7-8(11)9(12)5(2)6(3)10(7)13/h4,13H2,1-3H3.
What are the key properties of 3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline?
3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline has a molecular weight of 201.67 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline is sourced from PubChem (CID 166756160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).