2-chloro-N-ethyl-4-fluoro-6-methylaniline

C9H11ClFN — CID 23348772

IUPAC2-chloro-N-ethyl-4-fluoro-6-methylaniline
SMILESCCNc1c(C)cc(F)cc1Cl
InChIInChI=1S/C9H11ClFN/c1-3-12-9-6(2)4-7(11)5-8(9)10/h4-5,12H,3H2,1-2H3
InChIKeyKXNDISNQYNVPQP-UHFFFAOYSA-N
MW187.65 g/mol
LogP3.22
Rot. Bonds2

About 2-chloro-N-ethyl-4-fluoro-6-methylaniline

2-chloro-N-ethyl-4-fluoro-6-methylaniline (PubChem CID 23348772) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-fluoro-6-methylaniline.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-fluoro-6-methylaniline
PubChem CID23348772
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name2-chloro-N-ethyl-4-fluoro-6-methylaniline
SMILESCCNc1c(C)cc(F)cc1Cl
InChIInChI=1S/C9H11ClFN/c1-3-12-9-6(2)4-7(11)5-8(9)10/h4-5,12H,3H2,1-2H3
InChIKeyKXNDISNQYNVPQP-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4-fluoro-6-methylaniline?
The IUPAC name of 2-chloro-N-ethyl-4-fluoro-6-methylaniline (CID 23348772) is 2-chloro-N-ethyl-4-fluoro-6-methylaniline.
What is the SMILES notation for 2-chloro-N-ethyl-4-fluoro-6-methylaniline?
The canonical SMILES for 2-chloro-N-ethyl-4-fluoro-6-methylaniline is CCNc1c(C)cc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-4-fluoro-6-methylaniline?
The InChIKey is KXNDISNQYNVPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-3-12-9-6(2)4-7(11)5-8(9)10/h4-5,12H,3H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-4-fluoro-6-methylaniline?
2-chloro-N-ethyl-4-fluoro-6-methylaniline has a molecular weight of 187.65 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-fluoro-6-methylaniline is sourced from PubChem (CID 23348772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).