N-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline

C12H18FNO — CID 115923021

IUPACN-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline
SMILESCCOCC(C)Nc1cc(C)ccc1F
InChIInChI=1S/C12H18FNO/c1-4-15-8-10(3)14-12-7-9(2)5-6-11(12)13/h5-7,10,14H,4,8H2,1-3H3
InChIKeyXECRGRJKNPUKSH-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.97
Rot. Bonds5

About N-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline

N-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline (PubChem CID 115923021) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline
PubChem CID115923021
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline
SMILESCCOCC(C)Nc1cc(C)ccc1F
InChIInChI=1S/C12H18FNO/c1-4-15-8-10(3)14-12-7-9(2)5-6-11(12)13/h5-7,10,14H,4,8H2,1-3H3
InChIKeyXECRGRJKNPUKSH-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline
CID 103585345
4-(2-fluoro-5-methylanilino)pentan-1-ol
CID 115976054
N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline
CID 115929993
N-(1-ethoxypropan-2-yl)-3,5-difluoro-2-nitroaniline
CID 113325521
4-chloro-2-(1-ethoxypropan-2-ylamino)benzonitrile
CID 63082601
N-(1-ethoxypropan-2-yl)-2,6-dimethylpyridin-3-amine
CID 115922217
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 43088434
2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903
1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine
CID 66095407
6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine
CID 99838879
2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 55144774
2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 62535868

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline?
The IUPAC name of N-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline (CID 115923021) is N-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline is CCOCC(C)Nc1cc(C)ccc1F.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline?
The InChIKey is XECRGRJKNPUKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-4-15-8-10(3)14-12-7-9(2)5-6-11(12)13/h5-7,10,14H,4,8H2,1-3H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline?
N-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline has a molecular weight of 211.28 g/mol, XLogP of 2.97, 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-fluoro-5-methylaniline is sourced from PubChem (CID 115923021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).