(1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine

C10H11F3N2O2 — CID 165351611

IUPAC(1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine
SMILESCN[C@H](C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2/c1-6(14-2)7-3-4-9(15(16)17)8(5-7)10(11,12)13/h3-6,14H,1-2H3/t6-/m1/s1
InChIKeyVTCGVMCEFVUMJI-ZCFIWIBFSA-N
MW248.20 g/mol
LogP2.89
Rot. Bonds3

About (1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine

(1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 165351611) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is (1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine
PubChem CID165351611
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name(1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine
SMILESCN[C@H](C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2/c1-6(14-2)7-3-4-9(15(16)17)8(5-7)10(11,12)13/h3-6,14H,1-2H3/t6-/m1/s1
InChIKeyVTCGVMCEFVUMJI-ZCFIWIBFSA-N
XLogP2.89
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-[4-nitro-3-(trifluoromethyl)phenyl]propanoate
CID 124507305
4-methyl-3-[4-nitro-3-(trifluoromethyl)phenyl]pentan-2-ol
CID 63201107
4-methyl-1-nitro-2-(trifluoromethyl)benzene
CID 13455432
4-(difluoromethyl)-2-nitro-1-(trifluoromethyl)benzene
CID 46311754
N-[2-[4-nitro-3-(trifluoromethyl)phenoxy]ethyl]propan-2-amine
CID 62348983
N-(5-methylhexan-2-yl)-4-nitro-3-(trifluoromethyl)aniline
CID 63925101
N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 12896998
azane;4-nitro-3-(trifluoromethyl)phenol
CID 171929211
(1S)-1-amino-1-[4-nitro-3-(trifluoromethyl)phenyl]propane-1,2-diol
CID 126600627
4-tert-butylaniline;4-nitro-3-(trifluoromethyl)aniline
CID 160819581
N-ethyl-3-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]butan-2-amine
CID 63201804
1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine
CID 61032294

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine (CID 165351611) is (1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine is CN[C@H](C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1.
What is the InChIKey of (1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is VTCGVMCEFVUMJI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-6(14-2)7-3-4-9(15(16)17)8(5-7)10(11,12)13/h3-6,14H,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine?
(1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 248.20 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 165351611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).