2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine

C18H20FN3O — CID 123839034

IUPAC2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine
SMILES[H]/N=C(\C/C=N/CCNC)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O/c1-21-12-13-22-11-10-18(20)14-2-6-16(7-3-14)23-17-8-4-15(19)5-9-17/h2-9,11,20-21H,10,12-13H2,1H3/b20-18+,22-11+
InChIKeyYUAMLJRPGVZJJZ-RGGNCONQSA-N
MW313.38 g/mol
LogP3.67
Rot. Bonds8

About 2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine

2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine (PubChem CID 123839034) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine.

Molecular Properties

Compound Name2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine
PubChem CID123839034
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine
SMILES[H]/N=C(\C/C=N/CCNC)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O/c1-21-12-13-22-11-10-18(20)14-2-6-16(7-3-14)23-17-8-4-15(19)5-9-17/h2-9,11,20-21H,10,12-13H2,1H3/b20-18+,22-11+
InChIKeyYUAMLJRPGVZJJZ-RGGNCONQSA-N
XLogP3.67
TPSA57.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine 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 2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine?
The IUPAC name of 2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine (CID 123839034) is 2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine.
What is the SMILES notation for 2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine?
The canonical SMILES for 2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine is [H]/N=C(\C/C=N/CCNC)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine?
The InChIKey is YUAMLJRPGVZJJZ-RGGNCONQSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-21-12-13-22-11-10-18(20)14-2-6-16(7-3-14)23-17-8-4-15(19)5-9-17/h2-9,11,20-21H,10,12-13H2,1H3/b20-18+,22-11+.
What are the key properties of 2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine?
2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine has a molecular weight of 313.38 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-(4-fluorophenoxy)phenyl]-3-iminopropylidene]amino]-N-methylethanamine is sourced from PubChem (CID 123839034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).