N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine

C8H9F3N2O — CID 171931128

IUPACN-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine
SMILESNCc1ccc(C(F)(F)F)cc1NO
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)6-2-1-5(4-12)7(3-6)13-14/h1-3,13-14H,4,12H2
InChIKeyKIZQNXBKQVOBDR-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.97
Rot. Bonds2

About N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine

N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine (PubChem CID 171931128) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine
PubChem CID171931128
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC NameN-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine
SMILESNCc1ccc(C(F)(F)F)cc1NO
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)6-2-1-5(4-12)7(3-6)13-14/h1-3,13-14H,4,12H2
InChIKeyKIZQNXBKQVOBDR-UHFFFAOYSA-N
XLogP1.97
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine?
The IUPAC name of N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine (CID 171931128) is N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine.
What is the SMILES notation for N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine?
The canonical SMILES for N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine is NCc1ccc(C(F)(F)F)cc1NO.
What is the InChIKey of N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine?
The InChIKey is KIZQNXBKQVOBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)6-2-1-5(4-12)7(3-6)13-14/h1-3,13-14H,4,12H2.
What are the key properties of N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine?
N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine has a molecular weight of 206.17 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine is sourced from PubChem (CID 171931128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).