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

C12H16F3N — CID 78821261

IUPACN-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3N/c1-9(2)16(3)8-10-6-4-5-7-11(10)12(13,14)15/h4-7,9H,8H2,1-3H3
InChIKeyKLQXTRGMXWLTRU-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.55
Rot. Bonds3

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

N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine (PubChem CID 78821261) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
PubChem CID78821261
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3N/c1-9(2)16(3)8-10-6-4-5-7-11(10)12(13,14)15/h4-7,9H,8H2,1-3H3
InChIKeyKLQXTRGMXWLTRU-UHFFFAOYSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride
CID 119924718
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
(2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
CID 30982171
1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 91621520
(1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 37302759
N'-methyl-N'-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 62635384
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 24664974
(2R)-N-(2-fluorophenyl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 51932634
1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine
CID 81491313
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 55544038
4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid
CID 60833320

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine (CID 78821261) is N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine is CC(C)N(C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The InChIKey is KLQXTRGMXWLTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-9(2)16(3)8-10-6-4-5-7-11(10)12(13,14)15/h4-7,9H,8H2,1-3H3.
What are the key properties of N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine has a molecular weight of 231.26 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 78821261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).