4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline

C10H13ClFN — CID 143095408

IUPAC4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline
SMILESCCN(C)c1cc(C)c(Cl)cc1F
InChIInChI=1S/C10H13ClFN/c1-4-13(3)10-5-7(2)8(11)6-9(10)12/h5-6H,4H2,1-3H3
InChIKeyXDAHCNRKIYHXOX-UHFFFAOYSA-N
MW201.67 g/mol
LogP3.24
Rot. Bonds2

About 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline

4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline (PubChem CID 143095408) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline.

Molecular Properties

Compound Name4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline
PubChem CID143095408
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline
SMILESCCN(C)c1cc(C)c(Cl)cc1F
InChIInChI=1S/C10H13ClFN/c1-4-13(3)10-5-7(2)8(11)6-9(10)12/h5-6H,4H2,1-3H3
InChIKeyXDAHCNRKIYHXOX-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-ethyl-2-fluoro-N-methylaniline
CID 115259333
5-bromo-N-ethyl-2-fluoro-N-methylaniline
CID 115259359
4-chloro-2-fluoro-5-methylbenzenethiol
CID 131028192
2-chloro-5-(diethylamino)-4-fluorobenzenethiol
CID 175066537
5-chloro-N,N,2,4-tetramethylaniline
CID 11959023
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline
CID 114847884
5-chloro-1-N-ethyl-6-fluoro-1-N-methylbenzene-1,2,4-triamine
CID 103552641
N-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride
CID 20718127
4-(chloromethyl)-N-ethyl-N,2-dimethylaniline
CID 62123149
N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117281709
1,5-dichloro-2,4-dimethylbenzene
CID 4174838

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline?
The IUPAC name of 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline (CID 143095408) is 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline.
What is the SMILES notation for 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline?
The canonical SMILES for 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline is CCN(C)c1cc(C)c(Cl)cc1F.
What is the InChIKey of 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline?
The InChIKey is XDAHCNRKIYHXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-4-13(3)10-5-7(2)8(11)6-9(10)12/h5-6H,4H2,1-3H3.
What are the key properties of 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline?
4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline has a molecular weight of 201.67 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline is sourced from PubChem (CID 143095408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).