N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline

C15H22F3NO — CID 43105351

IUPACN-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline
SMILESCCC(C)CC(CC)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-4-11(3)10-12(5-2)19-13-8-6-7-9-14(13)20-15(16,17)18/h6-9,11-12,19H,4-5,10H2,1-3H3
InChIKeyJRNJWPLYCKIOHN-UHFFFAOYSA-N
MW289.34 g/mol
LogP5.21
Rot. Bonds7

About N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline

N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline (PubChem CID 43105351) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline
PubChem CID43105351
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline
SMILESCCC(C)CC(CC)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-4-11(3)10-12(5-2)19-13-8-6-7-9-14(13)20-15(16,17)18/h6-9,11-12,19H,4-5,10H2,1-3H3
InChIKeyJRNJWPLYCKIOHN-UHFFFAOYSA-N
XLogP5.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.34
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(trifluoromethoxy)anilino]butanoic acid
CID 64668144
2-chloro-N-(5-methylheptan-3-yl)aniline
CID 43095365
N-(1-cyclopropylpropyl)-2-(trifluoromethoxy)aniline
CID 64920294
N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 29300715
N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline
CID 43111586
N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline
CID 113489688
N-(5-methylheptan-3-yl)-2-methylsulfonylaniline
CID 43724656
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
2-[2-(trifluoromethoxy)anilino]hexanoic acid
CID 103233518
2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline
CID 66478749
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline
CID 43095586

Frequently Asked Questions

What is the IUPAC name of N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline?
The IUPAC name of N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline (CID 43105351) is N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline is CCC(C)CC(CC)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline?
The InChIKey is JRNJWPLYCKIOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-4-11(3)10-12(5-2)19-13-8-6-7-9-14(13)20-15(16,17)18/h6-9,11-12,19H,4-5,10H2,1-3H3.
What are the key properties of N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline?
N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline has a molecular weight of 289.34 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 43105351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).