2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine

C17H26F3N — CID 63509368

IUPAC2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
SMILESCCC(C)(CNCC(C)C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H26F3N/c1-5-16(4,12-21-11-13(2)3)10-14-6-8-15(9-7-14)17(18,19)20/h6-9,13,21H,5,10-12H2,1-4H3
InChIKeyWWYCYWNLSJXVEK-UHFFFAOYSA-N
MW301.40 g/mol
LogP4.91
Rot. Bonds7

About 2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine

2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine (PubChem CID 63509368) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
PubChem CID63509368
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
SMILESCCC(C)(CNCC(C)C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H26F3N/c1-5-16(4,12-21-11-13(2)3)10-14-6-8-15(9-7-14)17(18,19)20/h6-9,13,21H,5,10-12H2,1-4H3
InChIKeyWWYCYWNLSJXVEK-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718470
2-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718469
2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 66002862
2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 55083992
N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 63509011
1-[3-chloro-2-(chloromethyl)-2-methylpropyl]-4-(trifluoromethyl)benzene
CID 79447195
2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151559
2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63508313
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509171
2-methyl-N-(2-methylpropyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64777525
N'-methyl-N-(2-methylpropyl)-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 62593658

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine (CID 63509368) is 2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine is CCC(C)(CNCC(C)C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The InChIKey is WWYCYWNLSJXVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N/c1-5-16(4,12-21-11-13(2)3)10-14-6-8-15(9-7-14)17(18,19)20/h6-9,13,21H,5,10-12H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine has a molecular weight of 301.40 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine is sourced from PubChem (CID 63509368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).