2-methoxy-N-methyl-5-(trifluoromethyl)aniline

C9H10F3NO — CID 21307264

IUPAC2-methoxy-N-methyl-5-(trifluoromethyl)aniline
SMILESCNc1cc(C(F)(F)F)ccc1OC
InChIInChI=1S/C9H10F3NO/c1-13-7-5-6(9(10,11)12)3-4-8(7)14-2/h3-5,13H,1-2H3
InChIKeyNOSVBYWJTWDVGV-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.76
Rot. Bonds2

About 2-methoxy-N-methyl-5-(trifluoromethyl)aniline

2-methoxy-N-methyl-5-(trifluoromethyl)aniline (PubChem CID 21307264) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methoxy-N-methyl-5-(trifluoromethyl)aniline
PubChem CID21307264
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-methoxy-N-methyl-5-(trifluoromethyl)aniline
SMILESCNc1cc(C(F)(F)F)ccc1OC
InChIInChI=1S/C9H10F3NO/c1-13-7-5-6(9(10,11)12)3-4-8(7)14-2/h3-5,13H,1-2H3
InChIKeyNOSVBYWJTWDVGV-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methoxy-5-(trifluoromethyl)phenyl]thiourea
CID 75176632
2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 11506603
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
(2S)-2-(4-chloro-2-methoxyphenyl)-2-[2-(methylamino)-4-(trifluoromethyl)phenyl]propanal
CID 178002967
5-iodo-2-methoxy-N-methylaniline
CID 82267247
2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740
3-[2,5-bis(trifluoromethyl)anilino]-4-methoxybenzoic acid
CID 155291425
1-(3,5-dichlorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 54332053
3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine
CID 169474783
[2-methoxy-4-(trifluoromethyl)phenyl]phosphane
CID 151566843
5-(1-fluoroethyl)-2-methoxy-N-methylaniline
CID 84659165

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-(trifluoromethyl)aniline?
The IUPAC name of 2-methoxy-N-methyl-5-(trifluoromethyl)aniline (CID 21307264) is 2-methoxy-N-methyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methoxy-N-methyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-methoxy-N-methyl-5-(trifluoromethyl)aniline is CNc1cc(C(F)(F)F)ccc1OC.
What is the InChIKey of 2-methoxy-N-methyl-5-(trifluoromethyl)aniline?
The InChIKey is NOSVBYWJTWDVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-13-7-5-6(9(10,11)12)3-4-8(7)14-2/h3-5,13H,1-2H3.
What are the key properties of 2-methoxy-N-methyl-5-(trifluoromethyl)aniline?
2-methoxy-N-methyl-5-(trifluoromethyl)aniline has a molecular weight of 205.18 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 21307264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).