2-[5-[[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol

C19H26FNO3 — CID 24714356

IUPAC2-[5-[[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol
SMILESCOCCCN(Cc1ccc(F)cc1)Cc1ccc(C(C)(C)O)o1
InChIInChI=1S/C19H26FNO3/c1-19(2,22)18-10-9-17(24-18)14-21(11-4-12-23-3)13-15-5-7-16(20)8-6-15/h5-10,22H,4,11-14H2,1-3H3
InChIKeyUQDZXNANZMOYFG-UHFFFAOYSA-N
MW335.42 g/mol
LogP3.68
Rot. Bonds9

About 2-[5-[[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol

2-[5-[[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol (PubChem CID 24714356) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-[5-[[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol
PubChem CID24714356
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name2-[5-[[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol
SMILESCOCCCN(Cc1ccc(F)cc1)Cc1ccc(C(C)(C)O)o1
InChIInChI=1S/C19H26FNO3/c1-19(2,22)18-10-9-17(24-18)14-21(11-4-12-23-3)13-15-5-7-16(20)8-6-15/h5-10,22H,4,11-14H2,1-3H3
InChIKeyUQDZXNANZMOYFG-UHFFFAOYSA-N
XLogP3.68
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol (CID 24714356) is 2-[5-[[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol is COCCCN(Cc1ccc(F)cc1)Cc1ccc(C(C)(C)O)o1.
What is the InChIKey of 2-[5-[[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol?
The InChIKey is UQDZXNANZMOYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3/c1-19(2,22)18-10-9-17(24-18)14-21(11-4-12-23-3)13-15-5-7-16(20)8-6-15/h5-10,22H,4,11-14H2,1-3H3.
What are the key properties of 2-[5-[[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol?
2-[5-[[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol has a molecular weight of 335.42 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol is sourced from PubChem (CID 24714356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).