1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine

C13H18F3N — CID 115844350

IUPAC1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine
SMILESCNC(Cc1ccc(C(C)C)cc1)C(F)(F)F
InChIInChI=1S/C13H18F3N/c1-9(2)11-6-4-10(5-7-11)8-12(17-3)13(14,15)16/h4-7,9,12,17H,8H2,1-3H3
InChIKeyUYPJZYNVYBPHIA-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.50
Rot. Bonds4

About 1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine

1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine (PubChem CID 115844350) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine
PubChem CID115844350
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine
SMILESCNC(Cc1ccc(C(C)C)cc1)C(F)(F)F
InChIInChI=1S/C13H18F3N/c1-9(2)11-6-4-10(5-7-11)8-12(17-3)13(14,15)16/h4-7,9,12,17H,8H2,1-3H3
InChIKeyUYPJZYNVYBPHIA-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-yl]hydrazine
CID 105202909
3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115865082
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43480587
N,N-diethyl-3-hydrazinyl-2-methyl-4-(4-propan-2-ylphenyl)butan-2-amine
CID 105239157
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 66467241
trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium
CID 89412455
1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63083908
N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 79018604
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 82534938

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine (CID 115844350) is 1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine is CNC(Cc1ccc(C(C)C)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine?
The InChIKey is UYPJZYNVYBPHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-9(2)11-6-4-10(5-7-11)8-12(17-3)13(14,15)16/h4-7,9,12,17H,8H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine?
1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine has a molecular weight of 245.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 115844350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).