5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol

C24H30FNO2 — CID 46017554

IUPAC5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
SMILESC=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2F)C2CC2)o1
InChIInChI=1S/C24H30FNO2/c1-3-5-15-24(27,16-6-4-2)23-14-13-21(28-23)18-26(20-11-12-20)17-19-9-7-8-10-22(19)25/h3-4,7-10,13-14,20,27H,1-2,5-6,11-12,15-18H2
InChIKeyBVSJEGILNYQLSB-UHFFFAOYSA-N
MW383.51 g/mol
LogP5.70
Rot. Bonds12

About 5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol

5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol (PubChem CID 46017554) has the molecular formula C24H30FNO2 and a molecular weight of 383.51 g/mol. Its IUPAC name is 5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol.

Molecular Properties

Compound Name5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
PubChem CID46017554
Molecular FormulaC24H30FNO2
Molecular Weight383.51 g/mol
Exact Mass383.23
IUPAC Name5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
SMILESC=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2F)C2CC2)o1
InChIInChI=1S/C24H30FNO2/c1-3-5-15-24(27,16-6-4-2)23-14-13-21(28-23)18-26(20-11-12-20)17-19-9-7-8-10-22(19)25/h3-4,7-10,13-14,20,27H,1-2,5-6,11-12,15-18H2
InChIKeyBVSJEGILNYQLSB-UHFFFAOYSA-N
XLogP5.70
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol 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 5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol?
The IUPAC name of 5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol (CID 46017554) is 5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol.
What is the SMILES notation for 5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol?
The canonical SMILES for 5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol is C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2F)C2CC2)o1.
What is the InChIKey of 5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol?
The InChIKey is BVSJEGILNYQLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO2/c1-3-5-15-24(27,16-6-4-2)23-14-13-21(28-23)18-26(20-11-12-20)17-19-9-7-8-10-22(19)25/h3-4,7-10,13-14,20,27H,1-2,5-6,11-12,15-18H2.
What are the key properties of 5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol?
5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol has a molecular weight of 383.51 g/mol, XLogP of 5.70, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol is sourced from PubChem (CID 46017554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).