2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine

C13H18F3N — CID 61166216

IUPAC2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCC(C)(C)CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3N/c1-12(2,3)9-17-8-10-4-6-11(7-5-10)13(14,15)16/h4-7,17H,8-9H2,1-3H3
InChIKeyMAIIPXOUFQMDMV-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.84
Rot. Bonds3

About 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine

2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 61166216) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID61166216
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCC(C)(C)CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3N/c1-12(2,3)9-17-8-10-4-6-11(7-5-10)13(14,15)16/h4-7,17H,8-9H2,1-3H3
InChIKeyMAIIPXOUFQMDMV-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 14599999
2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine
CID 20601064
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 43434184
N-[(4-methylsulfanylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60699641
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115572429
N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
CID 20601070
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
CID 60669224
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 111467443

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 61166216) is 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine is CC(C)(C)CNCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is MAIIPXOUFQMDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-12(2,3)9-17-8-10-4-6-11(7-5-10)13(14,15)16/h4-7,17H,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 245.29 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 61166216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).