N-(2-ethylhexyl)-2,3-difluoroaniline

C14H21F2N — CID 63490651

IUPACN-(2-ethylhexyl)-2,3-difluoroaniline
SMILESCCCCC(CC)CNc1cccc(F)c1F
InChIInChI=1S/C14H21F2N/c1-3-5-7-11(4-2)10-17-13-9-6-8-12(15)14(13)16/h6,8-9,11,17H,3-5,7,10H2,1-2H3
InChIKeyPLLGRCMOAWBCKG-UHFFFAOYSA-N
MW241.32 g/mol
LogP4.59
Rot. Bonds7

About N-(2-ethylhexyl)-2,3-difluoroaniline

N-(2-ethylhexyl)-2,3-difluoroaniline (PubChem CID 63490651) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2,3-difluoroaniline.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2,3-difluoroaniline
PubChem CID63490651
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC NameN-(2-ethylhexyl)-2,3-difluoroaniline
SMILESCCCCC(CC)CNc1cccc(F)c1F
InChIInChI=1S/C14H21F2N/c1-3-5-7-11(4-2)10-17-13-9-6-8-12(15)14(13)16/h6,8-9,11,17H,3-5,7,10H2,1-2H3
InChIKeyPLLGRCMOAWBCKG-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(2-ethylhexyl)-2-methylaniline
CID 107633893
4-chloro-N-(2-ethylhexyl)-2-fluoroaniline
CID 55197144
N-(2-ethylhexyl)-2-(methoxymethyl)aniline
CID 63491201
2-bromo-6-(2-ethylhexylamino)benzoic acid
CID 107818214
1-N-(2-ethylhexyl)-3-propoxybenzene-1,2-diamine
CID 107819831
4-(2-ethylhexylamino)-3-fluorobenzoic acid
CID 114004413
N-(2,2-diethoxyethyl)-2,3-difluoroaniline
CID 81093077
1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107819905
1-N-(2-ethylhexyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 107819798
3-N-(2-ethylhexyl)benzene-1,3-diamine
CID 107819836
1,2-difluoro-3-(2-propylhexyl)benzene
CID 134378783
2,3-difluoro-N-pentan-2-ylaniline
CID 61074639

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2,3-difluoroaniline?
The IUPAC name of N-(2-ethylhexyl)-2,3-difluoroaniline (CID 63490651) is N-(2-ethylhexyl)-2,3-difluoroaniline.
What is the SMILES notation for N-(2-ethylhexyl)-2,3-difluoroaniline?
The canonical SMILES for N-(2-ethylhexyl)-2,3-difluoroaniline is CCCCC(CC)CNc1cccc(F)c1F.
What is the InChIKey of N-(2-ethylhexyl)-2,3-difluoroaniline?
The InChIKey is PLLGRCMOAWBCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-3-5-7-11(4-2)10-17-13-9-6-8-12(15)14(13)16/h6,8-9,11,17H,3-5,7,10H2,1-2H3.
What are the key properties of N-(2-ethylhexyl)-2,3-difluoroaniline?
N-(2-ethylhexyl)-2,3-difluoroaniline has a molecular weight of 241.32 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2,3-difluoroaniline is sourced from PubChem (CID 63490651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).