N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline

C12H17F2NO — CID 103585345

IUPACN-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline
SMILESCCOCC(C)Nc1cc(F)c(C)cc1F
InChIInChI=1S/C12H17F2NO/c1-4-16-7-9(3)15-12-6-10(13)8(2)5-11(12)14/h5-6,9,15H,4,7H2,1-3H3
InChIKeyZCRYAYKETSUXPR-UHFFFAOYSA-N
MW229.27 g/mol
LogP3.11
Rot. Bonds5

About N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline

N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline (PubChem CID 103585345) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline
PubChem CID103585345
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC NameN-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline
SMILESCCOCC(C)Nc1cc(F)c(C)cc1F
InChIInChI=1S/C12H17F2NO/c1-4-16-7-9(3)15-12-6-10(13)8(2)5-11(12)14/h5-6,9,15H,4,7H2,1-3H3
InChIKeyZCRYAYKETSUXPR-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline
CID 115923021
N-(1-ethylsulfonylpropan-2-yl)-2,5-difluoro-4-methylaniline
CID 103584982
N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline
CID 115929993
N-(1-ethoxypropan-2-yl)-3,5-difluoro-2-nitroaniline
CID 113325521
2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 103585001
3-(2,5-difluoro-4-methylanilino)butan-2-ol
CID 103585594
3-(2,5-difluoro-4-methylanilino)pentanenitrile
CID 103585766
2-(1-ethoxypropan-2-ylamino)-6-fluorobenzoic acid
CID 79522042
N-but-3-yn-2-yl-2,5-difluoro-4-methylaniline
CID 103585508
6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
CID 114074384
tert-butyl 2-(2,5-difluoro-4-methylanilino)propanoate
CID 103585492
N-(1-ethoxypropan-2-yl)-2,6-dimethylpyridin-3-amine
CID 115922217

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline?
The IUPAC name of N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline (CID 103585345) is N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline is CCOCC(C)Nc1cc(F)c(C)cc1F.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline?
The InChIKey is ZCRYAYKETSUXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-4-16-7-9(3)15-12-6-10(13)8(2)5-11(12)14/h5-6,9,15H,4,7H2,1-3H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline?
N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline has a molecular weight of 229.27 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline is sourced from PubChem (CID 103585345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).