4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline

C16H25F3N2 — CID 62123132

IUPAC4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1ccc(CNC(C)(C)C)cc1C
InChIInChI=1S/C16H25F3N2/c1-6-21(11-16(17,18)19)14-8-7-13(9-12(14)2)10-20-15(3,4)5/h7-9,20H,6,10-11H2,1-5H3
InChIKeyQBLYNZCRTNYCQU-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.27
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline

4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 62123132) has the molecular formula C16H25F3N2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID62123132
Molecular FormulaC16H25F3N2
Molecular Weight302.38 g/mol
Exact Mass302.20
IUPAC Name4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1ccc(CNC(C)(C)C)cc1C
InChIInChI=1S/C16H25F3N2/c1-6-21(11-16(17,18)19)14-8-7-13(9-12(14)2)10-20-15(3,4)5/h7-9,20H,6,10-11H2,1-5H3
InChIKeyQBLYNZCRTNYCQU-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide
CID 62120854
5-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80637359
2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 114850191
2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481554
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline
CID 62120667
4-[(tert-butylamino)methyl]-2-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63058994
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline
CID 63550613
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline
CID 63550593
N-butyl-4-[(tert-butylamino)methyl]-N-ethyl-2-fluoroaniline
CID 63550946
1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol
CID 79379221
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline
CID 63551322

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline (CID 62123132) is 4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline is CCN(CC(F)(F)F)c1ccc(CNC(C)(C)C)cc1C.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is QBLYNZCRTNYCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2/c1-6-21(11-16(17,18)19)14-8-7-13(9-12(14)2)10-20-15(3,4)5/h7-9,20H,6,10-11H2,1-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline?
4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 302.38 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 62123132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).