N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine

C9H10F3NO — CID 105456998

IUPACN-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESCN(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-13(14)6-7-3-2-4-8(5-7)9(10,11)12/h2-5,14H,6H2,1H3
InChIKeyIUEHHTWNGRCTMW-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.53
Rot. Bonds2

About N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine

N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine (PubChem CID 105456998) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
PubChem CID105456998
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC NameN-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESCN(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-13(14)6-7-3-2-4-8(5-7)9(10,11)12/h2-5,14H,6H2,1H3
InChIKeyIUEHHTWNGRCTMW-UHFFFAOYSA-N
XLogP2.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
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-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 51097153
4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119297081
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119737530
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
ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium
CID 40609421
3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol
CID 67931210
N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine
CID 6426222
1-[(2-methylpropan-2-yl)oxy]-3-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
CID 110898600

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine (CID 105456998) is N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine is CN(O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The InChIKey is IUEHHTWNGRCTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-13(14)6-7-3-2-4-8(5-7)9(10,11)12/h2-5,14H,6H2,1H3.
What are the key properties of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine?
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine has a molecular weight of 205.18 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 105456998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).