4-[[tert-butyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline

C13H19F3N2 — CID 59864181

IUPAC4-[[tert-butyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline
SMILESCN(Cc1ccc(N)cc1C(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H19F3N2/c1-12(2,3)18(4)8-9-5-6-10(17)7-11(9)13(14,15)16/h5-7H,8,17H2,1-4H3
InChIKeyVTLVNZNBKVSSJP-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.52
Rot. Bonds2

About 4-[[tert-butyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline

4-[[tert-butyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline (PubChem CID 59864181) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-[[tert-butyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[[tert-butyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline
PubChem CID59864181
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name4-[[tert-butyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline
SMILESCN(Cc1ccc(N)cc1C(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H19F3N2/c1-12(2,3)18(4)8-9-5-6-10(17)7-11(9)13(14,15)16/h5-7H,8,17H2,1-4H3
InChIKeyVTLVNZNBKVSSJP-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.52
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

N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
Trifluoromethyl toluidine
CID 2735932
2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
CID 693288
3-(Pyrrolidin-1-ylmethyl)aniline
CID 1096407
4-[(Azepan-1-yl)methyl]aniline
CID 1084713
1-(3,4-Xylyl)piperazine
CID 2723782
4-[(2-Methylpiperidin-1-yl)methyl]aniline
CID 3159023
Benzenemethanamine, 4-amino-N,N-dimethyl-
CID 308051
Amiflamine
CID 71221
3-((S)-1-Propyl-piperidin-3-yl)-phenylamine
CID 10013665
4-Dimethylaminophenethylamine
CID 151268
4-(Piperidin-1-ylmethyl)aniline
CID 846150

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[[tert-butyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline (CID 59864181) is 4-[[tert-butyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[[tert-butyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[[tert-butyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline is CN(Cc1ccc(N)cc1C(F)(F)F)C(C)(C)C.
What is the InChIKey of 4-[[tert-butyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline?
The InChIKey is VTLVNZNBKVSSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-12(2,3)18(4)8-9-5-6-10(17)7-11(9)13(14,15)16/h5-7H,8,17H2,1-4H3.
What are the key properties of 4-[[tert-butyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline?
4-[[tert-butyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline has a molecular weight of 260.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 59864181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).