1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine

C9H13FN2 — CID 68737589

IUPAC1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine
SMILESCc1cccc(F)c1C(C)(N)N
InChIInChI=1S/C9H13FN2/c1-6-4-3-5-7(10)8(6)9(2,11)12/h3-5H,11-12H2,1-2H3
InChIKeyUEHAPIZLXZDCCT-UHFFFAOYSA-N
MW168.21 g/mol
LogP1.22
Rot. Bonds1

About 1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine

1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine (PubChem CID 68737589) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is 1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine
PubChem CID68737589
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine
SMILESCc1cccc(F)c1C(C)(N)N
InChIInChI=1S/C9H13FN2/c1-6-4-3-5-7(10)8(6)9(2,11)12/h3-5H,11-12H2,1-2H3
InChIKeyUEHAPIZLXZDCCT-UHFFFAOYSA-N
XLogP1.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine 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-fluoro-6-methylphenyl)ethane-1,1-diamine?
The IUPAC name of 1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine (CID 68737589) is 1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine.
What is the SMILES notation for 1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine?
The canonical SMILES for 1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine is Cc1cccc(F)c1C(C)(N)N.
What is the InChIKey of 1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine?
The InChIKey is UEHAPIZLXZDCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-6-4-3-5-7(10)8(6)9(2,11)12/h3-5H,11-12H2,1-2H3.
What are the key properties of 1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine?
1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine has a molecular weight of 168.21 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine is sourced from PubChem (CID 68737589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).