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

C15H22F3N — CID 55082770

IUPACN-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
SMILESCCC(CNC(C)C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3N/c1-4-12(10-19-11(2)3)9-13-5-7-14(8-6-13)15(16,17)18/h5-8,11-12,19H,4,9-10H2,1-3H3
InChIKeySWAAWMALHRQMID-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.27
Rot. Bonds6

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

N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine (PubChem CID 55082770) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
PubChem CID55082770
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
SMILESCCC(CNC(C)C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3N/c1-4-12(10-19-11(2)3)9-13-5-7-14(8-6-13)15(16,17)18/h5-8,11-12,19H,4,9-10H2,1-3H3
InChIKeySWAAWMALHRQMID-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-N-propan-2-ylbutan-1-amine
CID 62528668
N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028045
4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028112
2-[(3-chloro-4-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 103041008
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine
CID 61468668
2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63496037
N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 103516579
2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 55083992
2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid
CID 150251165
1-(2-methyltellanylpropyl)-4-(trifluoromethyl)benzene
CID 23075300
4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015179
2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The IUPAC name of N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine (CID 55082770) is N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine.
What is the SMILES notation for N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The canonical SMILES for N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine is CCC(CNC(C)C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The InChIKey is SWAAWMALHRQMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-4-12(10-19-11(2)3)9-13-5-7-14(8-6-13)15(16,17)18/h5-8,11-12,19H,4,9-10H2,1-3H3.
What are the key properties of N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine is sourced from PubChem (CID 55082770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).