1-fluoro-1-(3-methylphenyl)ethanamine

C9H12FN — CID 91079447

IUPAC1-fluoro-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(C)(N)F)c1
InChIInChI=1S/C9H12FN/c1-7-4-3-5-8(6-7)9(2,10)11/h3-6H,11H2,1-2H3
InChIKeyFPBRQGXUYAIDHL-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.10
Rot. Bonds1

About 1-fluoro-1-(3-methylphenyl)ethanamine

1-fluoro-1-(3-methylphenyl)ethanamine (PubChem CID 91079447) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 1-fluoro-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-fluoro-1-(3-methylphenyl)ethanamine
PubChem CID91079447
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name1-fluoro-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(C)(N)F)c1
InChIInChI=1S/C9H12FN/c1-7-4-3-5-8(6-7)9(2,10)11/h3-6H,11H2,1-2H3
InChIKeyFPBRQGXUYAIDHL-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-fluoro-1-(3-methylphenyl)ethanamine 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-fluoro-1-(3-methylphenyl)ethanamine?
The IUPAC name of 1-fluoro-1-(3-methylphenyl)ethanamine (CID 91079447) is 1-fluoro-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-fluoro-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-fluoro-1-(3-methylphenyl)ethanamine is Cc1cccc(C(C)(N)F)c1.
What is the InChIKey of 1-fluoro-1-(3-methylphenyl)ethanamine?
The InChIKey is FPBRQGXUYAIDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-7-4-3-5-8(6-7)9(2,10)11/h3-6H,11H2,1-2H3.
What are the key properties of 1-fluoro-1-(3-methylphenyl)ethanamine?
1-fluoro-1-(3-methylphenyl)ethanamine has a molecular weight of 153.20 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 91079447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).