2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine

C10H11F3N2O3 — CID 43082654

IUPAC2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CNCC(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c1-18-9-3-2-8(15(16)17)4-7(9)5-14-6-10(11,12)13/h2-4,14H,5-6H2,1H3
InChIKeyBOWUXTJUCJCJNR-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.26
Rot. Bonds5

About 2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine

2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine (PubChem CID 43082654) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
PubChem CID43082654
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CNCC(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c1-18-9-3-2-8(15(16)17)4-7(9)5-14-6-10(11,12)13/h2-4,14H,5-6H2,1H3
InChIKeyBOWUXTJUCJCJNR-UHFFFAOYSA-N
XLogP2.26
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4,4,4-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]butan-1-amine
CID 115518236
5,5,5-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]pentan-1-amine
CID 115518854
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082616
3-[(2-methoxy-5-nitrophenyl)methylamino]propan-1-ol
CID 43393003
1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
CID 43371036
4-[[(2-methoxy-5-nitrophenyl)methylamino]methyl]phenol
CID 114331736
N-[(2-methoxy-5-nitrophenyl)methyl]acetamide
CID 20650534
1-(2-methoxy-5-nitrophenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114955368
2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate
CID 83210722
N-[(2-methoxy-5-nitrophenyl)methyl]pentan-3-amine
CID 43082638
2-methyl-N-[[5-nitro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]propan-1-amine
CID 63056756

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine (CID 43082654) is 2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine is COc1ccc([N+](=O)[O-])cc1CNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine?
The InChIKey is BOWUXTJUCJCJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-18-9-3-2-8(15(16)17)4-7(9)5-14-6-10(11,12)13/h2-4,14H,5-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine?
2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine has a molecular weight of 264.20 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 43082654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).