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

C11H14F3N — CID 24890731

IUPAC(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC[C@H](NC)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-3-10(15-2)8-6-4-5-7-9(8)11(12,13)14/h4-7,10,15H,3H2,1-2H3/t10-/m0/s1
InChIKeySXUWIWUEYVJYTA-JTQLQIEISA-N
MW217.23 g/mol
LogP3.38
Rot. Bonds3

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

(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 24890731) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is (1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID24890731
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC[C@H](NC)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-3-10(15-2)8-6-4-5-7-9(8)11(12,13)14/h4-7,10,15H,3H2,1-2H3/t10-/m0/s1
InChIKeySXUWIWUEYVJYTA-JTQLQIEISA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2,3-bis(trifluoromethyl)phenyl]-N-methylpropan-1-amine
CID 139966105
N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 63890866
2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128452
N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline
CID 15399389
N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine
CID 115845337
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
CID 61049420
2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 61078717
N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62800663
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 115853824
2-[1-(methylamino)propyl]phenol
CID 12862798
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62802487
2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 116760777

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of (1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine (CID 24890731) is (1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for (1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine is CC[C@H](NC)c1ccccc1C(F)(F)F.
What is the InChIKey of (1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is SXUWIWUEYVJYTA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14F3N/c1-3-10(15-2)8-6-4-5-7-9(8)11(12,13)14/h4-7,10,15H,3H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 217.23 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 24890731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).