2-chloro-5-fluoro-N-pentan-2-ylaniline

C11H15ClFN — CID 107527281

IUPAC2-chloro-5-fluoro-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFN/c1-3-4-8(2)14-11-7-9(13)5-6-10(11)12/h5-8,14H,3-4H2,1-2H3
InChIKeyOLWYKMNKHADNMB-UHFFFAOYSA-N
MW215.70 g/mol
LogP4.08
Rot. Bonds4

About 2-chloro-5-fluoro-N-pentan-2-ylaniline

2-chloro-5-fluoro-N-pentan-2-ylaniline (PubChem CID 107527281) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-pentan-2-ylaniline.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-pentan-2-ylaniline
PubChem CID107527281
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name2-chloro-5-fluoro-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFN/c1-3-4-8(2)14-11-7-9(13)5-6-10(11)12/h5-8,14H,3-4H2,1-2H3
InChIKeyOLWYKMNKHADNMB-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-iodo-N-pentan-2-ylaniline
CID 79769228
2-chloro-5-fluoro-N-heptan-3-ylaniline
CID 107527238
5-fluoro-2-nitro-N-pentan-2-ylaniline
CID 62377790
N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide
CID 43708281
2,5-difluoro-N-nonan-2-ylaniline
CID 43129763
4-fluoro-N-pentan-2-ylaniline
CID 15724808
2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107527068
2-chloro-4-iodo-N-pentan-2-ylaniline
CID 43733727
2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107527335
2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline
CID 107527481
2,4-difluoro-N-heptan-2-ylaniline
CID 43095629
2-bromo-5-fluoro-N-octan-2-ylaniline
CID 107632967

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-pentan-2-ylaniline?
The IUPAC name of 2-chloro-5-fluoro-N-pentan-2-ylaniline (CID 107527281) is 2-chloro-5-fluoro-N-pentan-2-ylaniline.
What is the SMILES notation for 2-chloro-5-fluoro-N-pentan-2-ylaniline?
The canonical SMILES for 2-chloro-5-fluoro-N-pentan-2-ylaniline is CCCC(C)Nc1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-pentan-2-ylaniline?
The InChIKey is OLWYKMNKHADNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-3-4-8(2)14-11-7-9(13)5-6-10(11)12/h5-8,14H,3-4H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-N-pentan-2-ylaniline?
2-chloro-5-fluoro-N-pentan-2-ylaniline has a molecular weight of 215.70 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-pentan-2-ylaniline is sourced from PubChem (CID 107527281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).