5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline

C16H17F3N2O — CID 141103257

IUPAC5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline
SMILESCN(C)Cc1cc(N)c(OC(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C16H17F3N2O/c1-21(2)10-12-8-14(20)15(22-16(17,18)19)9-13(12)11-6-4-3-5-7-11/h3-9H,10,20H2,1-2H3
InChIKeyITGQOUZWRHQWGJ-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.90
Rot. Bonds4

About 5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline

5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline (PubChem CID 141103257) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline
PubChem CID141103257
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline
SMILESCN(C)Cc1cc(N)c(OC(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C16H17F3N2O/c1-21(2)10-12-8-14(20)15(22-16(17,18)19)9-13(12)11-6-4-3-5-7-11/h3-9H,10,20H2,1-2H3
InChIKeyITGQOUZWRHQWGJ-UHFFFAOYSA-N
XLogP3.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine
CID 162400127
N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 139942776
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline
CID 164512500
3-phenyl-2-(trifluoromethoxy)aniline
CID 68852161
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111847579
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
2-[2-[(dimethylamino)methyl]phenoxy]-5-(2,2,3,3,3-pentafluoropropyl)aniline
CID 58625403
[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804267
2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline
CID 134624128
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 118805901

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline?
The IUPAC name of 5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline (CID 141103257) is 5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline.
What is the SMILES notation for 5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline?
The canonical SMILES for 5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline is CN(C)Cc1cc(N)c(OC(F)(F)F)cc1-c1ccccc1.
What is the InChIKey of 5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline?
The InChIKey is ITGQOUZWRHQWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-21(2)10-12-8-14(20)15(22-16(17,18)19)9-13(12)11-6-4-3-5-7-11/h3-9H,10,20H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline?
5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline has a molecular weight of 310.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 141103257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).