5-chloro-N-ethyl-2-fluoro-N-methylaniline

C9H11ClFN — CID 115259333

IUPAC5-chloro-N-ethyl-2-fluoro-N-methylaniline
SMILESCCN(C)c1cc(Cl)ccc1F
InChIInChI=1S/C9H11ClFN/c1-3-12(2)9-6-7(10)4-5-8(9)11/h4-6H,3H2,1-2H3
InChIKeyYTBDAZRIUPHTKM-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.94
Rot. Bonds2

About 5-chloro-N-ethyl-2-fluoro-N-methylaniline

5-chloro-N-ethyl-2-fluoro-N-methylaniline (PubChem CID 115259333) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-fluoro-N-methylaniline
PubChem CID115259333
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name5-chloro-N-ethyl-2-fluoro-N-methylaniline
SMILESCCN(C)c1cc(Cl)ccc1F
InChIInChI=1S/C9H11ClFN/c1-3-12(2)9-6-7(10)4-5-8(9)11/h4-6H,3H2,1-2H3
InChIKeyYTBDAZRIUPHTKM-UHFFFAOYSA-N
XLogP2.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-ethyl-2-fluoro-N-methylaniline
CID 115259359
4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline
CID 143095408
5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline
CID 114847884
N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115198408
1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol
CID 115121269
(2,5-difluoro-N-methylanilino)methanethiol
CID 115227749
methyl 4-(5-chloro-2-fluoro-N-methylanilino)butanoate
CID 115233388
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-5-chloro-2-fluoro-N-methylaniline
CID 115249337
5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038908
2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline
CID 115260602
(E)-3-[5-chloro-2-[ethyl(methyl)amino]phenyl]prop-2-enoic acid
CID 114858104

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-fluoro-N-methylaniline?
The IUPAC name of 5-chloro-N-ethyl-2-fluoro-N-methylaniline (CID 115259333) is 5-chloro-N-ethyl-2-fluoro-N-methylaniline.
What is the SMILES notation for 5-chloro-N-ethyl-2-fluoro-N-methylaniline?
The canonical SMILES for 5-chloro-N-ethyl-2-fluoro-N-methylaniline is CCN(C)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-ethyl-2-fluoro-N-methylaniline?
The InChIKey is YTBDAZRIUPHTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-3-12(2)9-6-7(10)4-5-8(9)11/h4-6H,3H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-2-fluoro-N-methylaniline?
5-chloro-N-ethyl-2-fluoro-N-methylaniline has a molecular weight of 187.65 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-fluoro-N-methylaniline is sourced from PubChem (CID 115259333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).