1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine

C10H12Cl2FNO — CID 86679075

IUPAC1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine
SMILESCONC(CF)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2FNO/c1-15-14-9(6-13)4-7-2-3-8(11)5-10(7)12/h2-3,5,9,14H,4,6H2,1H3
InChIKeyOQQYOGPJGLTPEY-UHFFFAOYSA-N
MW252.12 g/mol
LogP3.03
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine

1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine (PubChem CID 86679075) has the molecular formula C10H12Cl2FNO and a molecular weight of 252.12 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine
PubChem CID86679075
Molecular FormulaC10H12Cl2FNO
Molecular Weight252.12 g/mol
Exact Mass251.03
IUPAC Name1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine
SMILESCONC(CF)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2FNO/c1-15-14-9(6-13)4-7-2-3-8(11)5-10(7)12/h2-3,5,9,14H,4,6H2,1H3
InChIKeyOQQYOGPJGLTPEY-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine 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 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine (CID 86679075) is 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine is CONC(CF)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine?
The InChIKey is OQQYOGPJGLTPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2FNO/c1-15-14-9(6-13)4-7-2-3-8(11)5-10(7)12/h2-3,5,9,14H,4,6H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine?
1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine has a molecular weight of 252.12 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-amine is sourced from PubChem (CID 86679075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).