2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C12H16F3N — CID 43426280

IUPAC2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)C(NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H16F3N/c1-9(2)11(16-8-12(13,14)15)10-6-4-3-5-7-10/h3-7,9,11,16H,8H2,1-2H3
InChIKeyWYWLFOIRJSVWOI-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.54
Rot. Bonds4

About 2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 43426280) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID43426280
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)C(NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H16F3N/c1-9(2)11(16-8-12(13,14)15)10-6-4-3-5-7-10/h3-7,9,11,16H,8H2,1-2H3
InChIKeyWYWLFOIRJSVWOI-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 104860585
2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine
CID 103460399
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol
CID 65108431
3-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 43096327
4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
CID 103911194
N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine
CID 65025465
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43167014
methane;2-methyl-1-phenyl-N-(2-phenylethyl)propan-1-amine
CID 70638594

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 43426280) is 2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(C)C(NCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is WYWLFOIRJSVWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-9(2)11(16-8-12(13,14)15)10-6-4-3-5-7-10/h3-7,9,11,16H,8H2,1-2H3.
What are the key properties of 2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 231.26 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 43426280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).