2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine

C14H20F3N — CID 83160551

IUPAC2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
SMILESCC(C)C(C)(CN)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3N/c1-10(2)13(3,9-18)8-11-4-6-12(7-5-11)14(15,16)17/h4-7,10H,8-9,18H2,1-3H3
InChIKeyLFXQEFVHAKZKIC-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.87
Rot. Bonds4

About 2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine

2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine (PubChem CID 83160551) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
PubChem CID83160551
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
SMILESCC(C)C(C)(CN)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3N/c1-10(2)13(3,9-18)8-11-4-6-12(7-5-11)14(15,16)17/h4-7,10H,8-9,18H2,1-3H3
InChIKeyLFXQEFVHAKZKIC-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62740976
N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine
CID 83150966
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine
CID 119929132
2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 62724100
[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl] (2S)-2-aminopropanoate
CID 171044379
1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 139245832
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 173297949
2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 65147130
1-amino-2-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62774941
1-[3-chloro-2-(chloromethyl)-2-methylpropyl]-4-(trifluoromethyl)benzene
CID 79447195
1-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 114833903

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine (CID 83160551) is 2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine is CC(C)C(C)(CN)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The InChIKey is LFXQEFVHAKZKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-10(2)13(3,9-18)8-11-4-6-12(7-5-11)14(15,16)17/h4-7,10H,8-9,18H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine is sourced from PubChem (CID 83160551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).