2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride

C12H18ClF3N2 — CID 119924718

IUPAC2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride
SMILESCC(CN)N(C)Cc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C12H17F3N2.ClH/c1-9(7-16)17(2)8-10-5-3-4-6-11(10)12(13,14)15;/h3-6,9H,7-8,16H2,1-2H3;1H
InChIKeyFTULWJADWHUCRF-UHFFFAOYSA-N
MW282.74 g/mol
LogP2.91
Rot. Bonds4

About 2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride

2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride (PubChem CID 119924718) has the molecular formula C12H18ClF3N2 and a molecular weight of 282.74 g/mol. Its IUPAC name is 2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride
PubChem CID119924718
Molecular FormulaC12H18ClF3N2
Molecular Weight282.74 g/mol
Exact Mass282.11
IUPAC Name2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride
SMILESCC(CN)N(C)Cc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C12H17F3N2.ClH/c1-9(7-16)17(2)8-10-5-3-4-6-11(10)12(13,14)15;/h3-6,9H,7-8,16H2,1-2H3;1H
InChIKeyFTULWJADWHUCRF-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 78821261
1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 91621520
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
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 24664974
1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine
CID 81491313
(1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 37302759
(2R)-N-(2-fluorophenyl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 51932634
N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine
CID 43272646
4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 54775947
N'-methyl-N'-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 62635384
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride (CID 119924718) is 2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride is CC(CN)N(C)Cc1ccccc1C(F)(F)F.Cl.
What is the InChIKey of 2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride?
The InChIKey is FTULWJADWHUCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2.ClH/c1-9(7-16)17(2)8-10-5-3-4-6-11(10)12(13,14)15;/h3-6,9H,7-8,16H2,1-2H3;1H.
What are the key properties of 2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride?
2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride has a molecular weight of 282.74 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride is sourced from PubChem (CID 119924718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).