2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine

C16H24F3N — CID 43434184

IUPAC2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3N/c1-14(2,3)11-15(4,5)20-10-12-6-8-13(9-7-12)16(17,18)19/h6-9,20H,10-11H2,1-5H3
InChIKeyYKXPXKSEUBXFES-UHFFFAOYSA-N
MW287.37 g/mol
LogP5.01
Rot. Bonds4

About 2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine

2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine (PubChem CID 43434184) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
PubChem CID43434184
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3N/c1-14(2,3)11-15(4,5)20-10-12-6-8-13(9-7-12)16(17,18)19/h6-9,20H,10-11H2,1-5H3
InChIKeyYKXPXKSEUBXFES-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.37
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 79810535
4-[[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]benzoic acid
CID 122033290
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216
N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331447
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine
CID 119929132
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 71277035
N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 43434198
2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine
CID 20601064
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine
CID 23499567
N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 62998644

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine (CID 43434184) is 2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine is CC(C)(C)CC(C)(C)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine?
The InChIKey is YKXPXKSEUBXFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-14(2,3)11-15(4,5)20-10-12-6-8-13(9-7-12)16(17,18)19/h6-9,20H,10-11H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine?
2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine has a molecular weight of 287.37 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine is sourced from PubChem (CID 43434184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).