N'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine

C11H17FN2O — CID 50988387

IUPACN'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNc1ccc(F)cc1
InChIInChI=1S/C11H17FN2O/c1-15-9-8-13-6-7-14-11-4-2-10(12)3-5-11/h2-5,13-14H,6-9H2,1H3
InChIKeySJRFAKPYRQMPTF-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.47
Rot. Bonds7

About N'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine

N'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 50988387) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID50988387
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC NameN'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNc1ccc(F)cc1
InChIInChI=1S/C11H17FN2O/c1-15-9-8-13-6-7-14-11-4-2-10(12)3-5-11/h2-5,13-14H,6-9H2,1H3
InChIKeySJRFAKPYRQMPTF-UHFFFAOYSA-N
XLogP1.47
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-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 N'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine (CID 50988387) is N'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine is COCCNCCNc1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is SJRFAKPYRQMPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-15-9-8-13-6-7-14-11-4-2-10(12)3-5-11/h2-5,13-14H,6-9H2,1H3.
What are the key properties of N'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
N'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 212.27 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 50988387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).