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

C12H16F3N — CID 84726410

IUPACN-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
SMILESCNC(C)Cc1ccccc1CC(F)(F)F
InChIInChI=1S/C12H16F3N/c1-9(16-2)7-10-5-3-4-6-11(10)8-12(13,14)15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyJBCGYIRIYYTCOM-UHFFFAOYSA-N
MW231.26 g/mol
LogP2.94
Rot. Bonds4

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

N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine (PubChem CID 84726410) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
PubChem CID84726410
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
SMILESCNC(C)Cc1ccccc1CC(F)(F)F
InChIInChI=1S/C12H16F3N/c1-9(16-2)7-10-5-3-4-6-11(10)8-12(13,14)15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyJBCGYIRIYYTCOM-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84724008
1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine
CID 84723521
N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84726402
N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 82608402
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine
CID 55219614
1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
CID 84737397
N-methyl-1-phenylpropan-2-amine
CID 118309477
1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine
CID 63199723
2-methyl-6-[2-(methylamino)propyl]phenol
CID 14265623
2-chloro-6-[2-(methylamino)propyl]phenol
CID 84733707
potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
The IUPAC name of N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine (CID 84726410) is N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
The canonical SMILES for N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine is CNC(C)Cc1ccccc1CC(F)(F)F.
What is the InChIKey of N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
The InChIKey is JBCGYIRIYYTCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-9(16-2)7-10-5-3-4-6-11(10)8-12(13,14)15/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine has a molecular weight of 231.26 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine is sourced from PubChem (CID 84726410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).