N-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-N-ethyl-2-methylpropan-2-amine

C18H28F3N — CID 168747674

IUPACN-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-N-ethyl-2-methylpropan-2-amine
SMILESCCN(Cc1ccc(C(C)(C)C)cc1C(F)(F)F)C(C)(C)C
InChIInChI=1S/C18H28F3N/c1-8-22(17(5,6)7)12-13-9-10-14(16(2,3)4)11-15(13)18(19,20)21/h9-11H,8,12H2,1-7H3
InChIKeyLGSWLNRTDWGXAO-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.62
Rot. Bonds3

About N-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-N-ethyl-2-methylpropan-2-amine

N-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-N-ethyl-2-methylpropan-2-amine (PubChem CID 168747674) has the molecular formula C18H28F3N and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-N-ethyl-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-N-ethyl-2-methylpropan-2-amine
PubChem CID168747674
Molecular FormulaC18H28F3N
Molecular Weight315.42 g/mol
Exact Mass315.22
IUPAC NameN-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-N-ethyl-2-methylpropan-2-amine
SMILESCCN(Cc1ccc(C(C)(C)C)cc1C(F)(F)F)C(C)(C)C
InChIInChI=1S/C18H28F3N/c1-8-22(17(5,6)7)12-13-9-10-14(16(2,3)4)11-15(13)18(19,20)21/h9-11H,8,12H2,1-7H3
InChIKeyLGSWLNRTDWGXAO-UHFFFAOYSA-N
XLogP5.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 168747742
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CID 164559449
4-tert-butyl-2-(trifluoromethyl)phenol
CID 12652102
1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene
CID 90702752
(2,4-ditert-butylphenyl)methanamine
CID 174492091
4-[[ethyl(2-methylpropyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117539
4-[[methyl(propyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117342
N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine
CID 115259408
[1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane
CID 162549759
2-(1,1-difluoroethyl)-1-(iodomethyl)-4-(trifluoromethyl)benzene
CID 89493278
1-bromo-2-tert-butyl-4-(trifluoromethyl)benzene
CID 145078321
4-[[cyclohexyl(ethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117404

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-N-ethyl-2-methylpropan-2-amine?
The IUPAC name of N-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-N-ethyl-2-methylpropan-2-amine (CID 168747674) is N-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-N-ethyl-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-N-ethyl-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-N-ethyl-2-methylpropan-2-amine is CCN(Cc1ccc(C(C)(C)C)cc1C(F)(F)F)C(C)(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-N-ethyl-2-methylpropan-2-amine?
The InChIKey is LGSWLNRTDWGXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3N/c1-8-22(17(5,6)7)12-13-9-10-14(16(2,3)4)11-15(13)18(19,20)21/h9-11H,8,12H2,1-7H3.
What are the key properties of N-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-N-ethyl-2-methylpropan-2-amine?
N-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-N-ethyl-2-methylpropan-2-amine has a molecular weight of 315.42 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-N-ethyl-2-methylpropan-2-amine is sourced from PubChem (CID 168747674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).