2-chloro-5-fluoro-N-heptan-3-ylaniline

C13H19ClFN — CID 107527238

IUPAC2-chloro-5-fluoro-N-heptan-3-ylaniline
SMILESCCCCC(CC)Nc1cc(F)ccc1Cl
InChIInChI=1S/C13H19ClFN/c1-3-5-6-11(4-2)16-13-9-10(15)7-8-12(13)14/h7-9,11,16H,3-6H2,1-2H3
InChIKeyKVJKWGROKMRIRL-UHFFFAOYSA-N
MW243.75 g/mol
LogP4.86
Rot. Bonds6

About 2-chloro-5-fluoro-N-heptan-3-ylaniline

2-chloro-5-fluoro-N-heptan-3-ylaniline (PubChem CID 107527238) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-heptan-3-ylaniline.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-heptan-3-ylaniline
PubChem CID107527238
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name2-chloro-5-fluoro-N-heptan-3-ylaniline
SMILESCCCCC(CC)Nc1cc(F)ccc1Cl
InChIInChI=1S/C13H19ClFN/c1-3-5-6-11(4-2)16-13-9-10(15)7-8-12(13)14/h7-9,11,16H,3-6H2,1-2H3
InChIKeyKVJKWGROKMRIRL-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-5-fluoro-N-pentan-2-ylaniline
CID 107527281
5-fluoro-2-(heptan-3-ylamino)benzonitrile
CID 82015181
2-fluoro-N-heptan-3-yl-4-methylaniline
CID 63944900
(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
CID 103831238
4-fluoro-N-octan-3-ylaniline
CID 150524995
2-chloro-N-heptan-3-yl-4-nitroaniline
CID 63944330
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline
CID 107527392
2-chloro-N-hexan-3-ylaniline
CID 91251146
[1-(2-chloro-5-fluorophenyl)-2-ethylhexyl]hydrazine
CID 105398110
5-fluoro-2-(octan-4-ylamino)benzonitrile
CID 106024591
2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline
CID 107527481
3-fluoro-N-heptan-3-yl-4-methylaniline
CID 63944501

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-heptan-3-ylaniline?
The IUPAC name of 2-chloro-5-fluoro-N-heptan-3-ylaniline (CID 107527238) is 2-chloro-5-fluoro-N-heptan-3-ylaniline.
What is the SMILES notation for 2-chloro-5-fluoro-N-heptan-3-ylaniline?
The canonical SMILES for 2-chloro-5-fluoro-N-heptan-3-ylaniline is CCCCC(CC)Nc1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-heptan-3-ylaniline?
The InChIKey is KVJKWGROKMRIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-3-5-6-11(4-2)16-13-9-10(15)7-8-12(13)14/h7-9,11,16H,3-6H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-N-heptan-3-ylaniline?
2-chloro-5-fluoro-N-heptan-3-ylaniline has a molecular weight of 243.75 g/mol, XLogP of 4.86, 6 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-heptan-3-ylaniline is sourced from PubChem (CID 107527238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).