(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine

C10H12F3N — CID 129373327

IUPAC(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cc(C(F)(F)F)ccc1[C@@H](C)N
InChIInChI=1S/C10H12F3N/c1-6-5-8(10(11,12)13)3-4-9(6)7(2)14/h3-5,7H,14H2,1-2H3/t7-/m1/s1
InChIKeyYIJDFZZSFSDZKG-SSDOTTSWSA-N
MW203.21 g/mol
LogP3.03
Rot. Bonds1

About (1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine

(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 129373327) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is (1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
PubChem CID129373327
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cc(C(F)(F)F)ccc1[C@@H](C)N
InChIInChI=1S/C10H12F3N/c1-6-5-8(10(11,12)13)3-4-9(6)7(2)14/h3-5,7H,14H2,1-2H3/t7-/m1/s1
InChIKeyYIJDFZZSFSDZKG-SSDOTTSWSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-Methylphenyl)propane-2-amine
CID 199116
Phenethylamine, m-trifluoromethyl-
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2,5-Dimethylbenzeneethanamine
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CID 6993
1-(4-Methylphenyl)ethylamine
CID 577386
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CID 98089
(1S)-1-phenylpropan-1-amine
CID 6993773
1-Phenylpropan-1-amine
CID 18054

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine (CID 129373327) is (1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine is Cc1cc(C(F)(F)F)ccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is YIJDFZZSFSDZKG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12F3N/c1-6-5-8(10(11,12)13)3-4-9(6)7(2)14/h3-5,7H,14H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine?
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 203.21 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 129373327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).