3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline

C14H12F3NO — CID 115550906

IUPAC3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline
SMILESCc1cccc(N)c1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO/c1-9-3-2-4-12(18)13(9)19-11-7-5-10(6-8-11)14(15,16)17/h2-8H,18H2,1H3
InChIKeyDLQUPMYNHHPIGZ-UHFFFAOYSA-N
MW267.25 g/mol
LogP4.39
Rot. Bonds2

About 3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline

3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline (PubChem CID 115550906) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline.

Molecular Properties

Compound Name3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline
PubChem CID115550906
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline
SMILESCc1cccc(N)c1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO/c1-9-3-2-4-12(18)13(9)19-11-7-5-10(6-8-11)14(15,16)17/h2-8H,18H2,1H3
InChIKeyDLQUPMYNHHPIGZ-UHFFFAOYSA-N
XLogP4.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-5-Methylaniline
CID 8445
2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine
CID 91697
2-(o-Tolyloxy)aniline
CID 19692
5-Amino-2-methoxybenzotrifluoride
CID 600705
2-Benzyloxyaniline
CID 240548
2-(2-Methoxyethoxy)-5-(trifluoromethyl)aniline
CID 2392234
3-(Phenoxymethyl)aniline
CID 427435
4-(p-Tolyloxy)aniline
CID 94519
2-(2-((Dimethylamino)methyl)phenoxy)-5-methylbenzenamine
CID 10244152
2-(Tetrahydro-furan-2-ylmethoxy)-5-trifluoromethyl-phenylamine
CID 2917510
2-(4-Methoxyphenoxy)-5-(trifluoromethyl)aniline
CID 2735929
2-(3-Methylphenoxy)aniline
CID 2060829

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline?
The IUPAC name of 3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline (CID 115550906) is 3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline.
What is the SMILES notation for 3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline?
The canonical SMILES for 3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline is Cc1cccc(N)c1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline?
The InChIKey is DLQUPMYNHHPIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-9-3-2-4-12(18)13(9)19-11-7-5-10(6-8-11)14(15,16)17/h2-8H,18H2,1H3.
What are the key properties of 3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline?
3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline has a molecular weight of 267.25 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline is sourced from PubChem (CID 115550906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).