2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline

C12H17F2NO — CID 82816575

IUPAC2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline
SMILESCOCCC(C)Nc1c(F)ccc(C)c1F
InChIInChI=1S/C12H17F2NO/c1-8-4-5-10(13)12(11(8)14)15-9(2)6-7-16-3/h4-5,9,15H,6-7H2,1-3H3
InChIKeyNTPAMPGTMOHPEP-UHFFFAOYSA-N
MW229.27 g/mol
LogP3.11
Rot. Bonds5

About 2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline

2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline (PubChem CID 82816575) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline.

Molecular Properties

Compound Name2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline
PubChem CID82816575
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline
SMILESCOCCC(C)Nc1c(F)ccc(C)c1F
InChIInChI=1S/C12H17F2NO/c1-8-4-5-10(13)12(11(8)14)15-9(2)6-7-16-3/h4-5,9,15H,6-7H2,1-3H3
InChIKeyNTPAMPGTMOHPEP-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

2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline
CID 115923356
2-N-(4-methoxybutan-2-yl)-3-methylbenzene-1,2-diamine
CID 115550603
2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline
CID 82818122
1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol
CID 115836226
2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline
CID 82816283
3-N-(4-methoxybutan-2-yl)-4-methylbenzene-1,3-diamine
CID 64600487
N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 115632231
4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline
CID 115760953
4-N-(4-methoxybutan-2-yl)-2-methylbenzene-1,4-diamine
CID 19861688
6-fluoro-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 62735334
7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine
CID 83166013
2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline
CID 82818464

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline?
The IUPAC name of 2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline (CID 82816575) is 2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline.
What is the SMILES notation for 2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline?
The canonical SMILES for 2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline is COCCC(C)Nc1c(F)ccc(C)c1F.
What is the InChIKey of 2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline?
The InChIKey is NTPAMPGTMOHPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8-4-5-10(13)12(11(8)14)15-9(2)6-7-16-3/h4-5,9,15H,6-7H2,1-3H3.
What are the key properties of 2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline?
2,6-difluoro-N-(4-methoxybutan-2-yl)-3-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 2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline is sourced from PubChem (CID 82816575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).