N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine

C11H11F3N2O2 — CID 71650499

IUPACN-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
SMILESO=[N+]([O-])c1ccccc1CN(C1CC1)C(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)15(9-5-6-9)7-8-3-1-2-4-10(8)16(17)18/h1-4,9H,5-7H2
InChIKeyJONMOFNSNNNBJD-UHFFFAOYSA-N
MW260.21 g/mol
LogP3.08
Rot. Bonds4

About N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine

N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine (PubChem CID 71650499) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
PubChem CID71650499
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC NameN-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
SMILESO=[N+]([O-])c1ccccc1CN(C1CC1)C(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)15(9-5-6-9)7-8-3-1-2-4-10(8)16(17)18/h1-4,9H,5-7H2
InChIKeyJONMOFNSNNNBJD-UHFFFAOYSA-N
XLogP3.08
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71650369
N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 133397167
N-methyl-N-[(2-nitrophenyl)methyl]-1-oxothian-4-amine
CID 75408181
2-[cyclopropyl-[(2-nitrophenyl)methyl]amino]propanoic acid
CID 119994912
N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 133397265
N-[(2-nitrophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79700162
(2-nitrophenyl)methyl N-cyclohexyl-N-[(2-nitrophenyl)methyl]carbamate
CID 87561557
N-[(2-nitrophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747379
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 18133640
2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol
CID 55147193
(2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide
CID 120639685
N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine
CID 55247967

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
The IUPAC name of N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine (CID 71650499) is N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine.
What is the SMILES notation for N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
The canonical SMILES for N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine is O=[N+]([O-])c1ccccc1CN(C1CC1)C(F)(F)F.
What is the InChIKey of N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
The InChIKey is JONMOFNSNNNBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)15(9-5-6-9)7-8-3-1-2-4-10(8)16(17)18/h1-4,9H,5-7H2.
What are the key properties of N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine has a molecular weight of 260.21 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine is sourced from PubChem (CID 71650499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).