N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride

C9H11ClF3N — CID 14509279

IUPACN-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCNCc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C9H10F3N.ClH/c1-13-6-7-4-2-3-5-8(7)9(10,11)12;/h2-5,13H,6H2,1H3;1H
InChIKeyCCFCMSUWBCLOHQ-UHFFFAOYSA-N
MW225.64 g/mol
LogP2.85
Rot. Bonds2

About N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride

N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 14509279) has the molecular formula C9H11ClF3N and a molecular weight of 225.64 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID14509279
Molecular FormulaC9H11ClF3N
Molecular Weight225.64 g/mol
Exact Mass225.05
IUPAC NameN-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCNCc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C9H10F3N.ClH/c1-13-6-7-4-2-3-5-8(7)9(10,11)12;/h2-5,13H,6H2,1H3;1H
InChIKeyCCFCMSUWBCLOHQ-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
CID 155749063
N-methyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 43282524
N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine
CID 62449458
N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115279415
N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 82714629
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 17332531
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 82608402
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
CID 43214376
2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 150499557
3-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 102904012

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 14509279) is N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride is CNCc1ccccc1C(F)(F)F.Cl.
What is the InChIKey of N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is CCFCMSUWBCLOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N.ClH/c1-13-6-7-4-2-3-5-8(7)9(10,11)12;/h2-5,13H,6H2,1H3;1H.
What are the key properties of N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 225.64 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 14509279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).