N-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine

C15H18FNO2 — CID 55076880

IUPACN-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1COc1ccccc1F
InChIInChI=1S/C15H18FNO2/c1-11(2)17-9-15-12(7-8-18-15)10-19-14-6-4-3-5-13(14)16/h3-8,11,17H,9-10H2,1-2H3
InChIKeyWGDOFQPKUIZEPS-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.50
Rot. Bonds6

About N-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine

N-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 55076880) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID55076880
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1COc1ccccc1F
InChIInChI=1S/C15H18FNO2/c1-11(2)17-9-15-12(7-8-18-15)10-19-14-6-4-3-5-13(14)16/h3-8,11,17H,9-10H2,1-2H3
InChIKeyWGDOFQPKUIZEPS-UHFFFAOYSA-N
XLogP3.50
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine 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-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine (CID 55076880) is N-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine is CC(C)NCc1occc1COc1ccccc1F.
What is the InChIKey of N-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is WGDOFQPKUIZEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-11(2)17-9-15-12(7-8-18-15)10-19-14-6-4-3-5-13(14)16/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of N-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
N-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 263.31 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55076880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).