N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine

C9H9F3NO- — CID 163878102

IUPACN-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCN([O-])Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3NO/c1-13(14)6-7-3-2-4-8(5-7)9(10,11)12/h2-5H,6H2,1H3/q-1
InChIKeyVFKRMUNMZBNBSE-UHFFFAOYSA-N
MW204.17 g/mol
LogP2.63
Rot. Bonds2

About N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine

N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 163878102) has the molecular formula C9H9F3NO- and a molecular weight of 204.17 g/mol. Its IUPAC name is N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID163878102
Molecular FormulaC9H9F3NO-
Molecular Weight204.17 g/mol
Exact Mass204.06
IUPAC NameN-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCN([O-])Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3NO/c1-13(14)6-7-3-2-4-8(5-7)9(10,11)12/h2-5H,6H2,1H3/q-1
InChIKeyVFKRMUNMZBNBSE-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.17
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
4-fluoro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787889
1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene
CID 58227067
N',2,2-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine;hydrochloride
CID 119928729
N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 142071235
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 51097153
N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine
CID 6426222
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119737530
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 63642278
4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119297081

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine (CID 163878102) is N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine is CN([O-])Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is VFKRMUNMZBNBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3NO/c1-13(14)6-7-3-2-4-8(5-7)9(10,11)12/h2-5H,6H2,1H3/q-1.
What are the key properties of N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine?
N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 204.17 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 163878102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).