3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine

C15H17FN2 — CID 39348291

IUPAC3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
SMILESCCN(Cc1ccccc1F)c1cccc(N)c1
InChIInChI=1S/C15H17FN2/c1-2-18(14-8-5-7-13(17)10-14)11-12-6-3-4-9-15(12)16/h3-10H,2,11,17H2,1H3
InChIKeyDPBHMUPJHAGWAP-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.43
Rot. Bonds4

About 3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine

3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine (PubChem CID 39348291) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
PubChem CID39348291
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
SMILESCCN(Cc1ccccc1F)c1cccc(N)c1
InChIInChI=1S/C15H17FN2/c1-2-18(14-8-5-7-13(17)10-14)11-12-6-3-4-9-15(12)16/h3-10H,2,11,17H2,1H3
InChIKeyDPBHMUPJHAGWAP-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-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 3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine (CID 39348291) is 3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine is CCN(Cc1ccccc1F)c1cccc(N)c1.
What is the InChIKey of 3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine?
The InChIKey is DPBHMUPJHAGWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-2-18(14-8-5-7-13(17)10-14)11-12-6-3-4-9-15(12)16/h3-10H,2,11,17H2,1H3.
What are the key properties of 3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine?
3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine has a molecular weight of 244.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 39348291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).