N-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine

C16H24F3N — CID 102756073

IUPACN-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCc1cc(C(F)(F)F)ccc1CC(C)CNC(C)(C)C
InChIInChI=1S/C16H24F3N/c1-11(10-20-15(3,4)5)8-13-6-7-14(9-12(13)2)16(17,18)19/h6-7,9,11,20H,8,10H2,1-5H3
InChIKeySYGYGNJJPGDJEK-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.58
Rot. Bonds4

About N-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine

N-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 102756073) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID102756073
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCc1cc(C(F)(F)F)ccc1CC(C)CNC(C)(C)C
InChIInChI=1S/C16H24F3N/c1-11(10-20-15(3,4)5)8-13-6-7-14(9-12(13)2)16(17,18)19/h6-7,9,11,20H,8,10H2,1-5H3
InChIKeySYGYGNJJPGDJEK-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 64664802
2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene
CID 135135802
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 102754125
N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089
3-(4-bromo-3-chloro-2-fluorophenyl)-N-tert-butyl-2-methylpropan-1-amine
CID 106763465
N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 107446774
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64664397
1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
CID 123542451
(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine
CID 70970416
N-tert-butyl-4-(2,4-difluorophenyl)-2,3-dimethylbutan-1-amine
CID 81015212

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine (CID 102756073) is N-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine is Cc1cc(C(F)(F)F)ccc1CC(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is SYGYGNJJPGDJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-11(10-20-15(3,4)5)8-13-6-7-14(9-12(13)2)16(17,18)19/h6-7,9,11,20H,8,10H2,1-5H3.
What are the key properties of N-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine?
N-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 102756073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).