(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine

C11H14F3N — CID 70970416

IUPAC(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine
SMILESCc1ccc(C(F)(F)F)cc1C[C@H](C)N
InChIInChI=1S/C11H14F3N/c1-7-3-4-10(11(12,13)14)6-9(7)5-8(2)15/h3-4,6,8H,5,15H2,1-2H3/t8-/m0/s1
InChIKeyBVVSXTDDJLGTFX-QMMMGPOBSA-N
MW217.23 g/mol
LogP2.90
Rot. Bonds2

About (2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine

(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 70970416) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is (2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID70970416
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine
SMILESCc1ccc(C(F)(F)F)cc1C[C@H](C)N
InChIInChI=1S/C11H14F3N/c1-7-3-4-10(11(12,13)14)6-9(7)5-8(2)15/h3-4,6,8H,5,15H2,1-2H3/t8-/m0/s1
InChIKeyBVVSXTDDJLGTFX-QMMMGPOBSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine
CID 117299446
1-(5-iodo-2-methylphenyl)propan-2-amine
CID 130041396
1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
CID 123542451
[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
CID 68512051
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
2-(3-aminobutyl)-4-(trifluoromethyl)aniline
CID 105490665
2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene
CID 135135802
2-(3-bromopropyl)-1-methyl-4-(trifluoromethyl)benzene
CID 134621822
1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 66517614
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-propan-2-ylsulfanylethanamine
CID 102754214
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of (2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine (CID 70970416) is (2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for (2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for (2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine is Cc1ccc(C(F)(F)F)cc1C[C@H](C)N.
What is the InChIKey of (2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is BVVSXTDDJLGTFX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14F3N/c1-7-3-4-10(11(12,13)14)6-9(7)5-8(2)15/h3-4,6,8H,5,15H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine?
(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 217.23 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 70970416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).