[3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol

C15H16FNO2 — CID 106529823

IUPAC[3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol
SMILESOCc1cc(F)cc(N(Cc2ccco2)C2CC2)c1
InChIInChI=1S/C15H16FNO2/c16-12-6-11(10-18)7-14(8-12)17(13-3-4-13)9-15-2-1-5-19-15/h1-2,5-8,13,18H,3-4,9-10H2
InChIKeyBTYTYONROGBKSV-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.08
Rot. Bonds5

About [3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol

[3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol (PubChem CID 106529823) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is [3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol
PubChem CID106529823
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name[3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol
SMILESOCc1cc(F)cc(N(Cc2ccco2)C2CC2)c1
InChIInChI=1S/C15H16FNO2/c16-12-6-11(10-18)7-14(8-12)17(13-3-4-13)9-15-2-1-5-19-15/h1-2,5-8,13,18H,3-4,9-10H2
InChIKeyBTYTYONROGBKSV-UHFFFAOYSA-N
XLogP3.08
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol 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-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol?
The IUPAC name of [3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol (CID 106529823) is [3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol.
What is the SMILES notation for [3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol?
The canonical SMILES for [3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol is OCc1cc(F)cc(N(Cc2ccco2)C2CC2)c1.
What is the InChIKey of [3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol?
The InChIKey is BTYTYONROGBKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-12-6-11(10-18)7-14(8-12)17(13-3-4-13)9-15-2-1-5-19-15/h1-2,5-8,13,18H,3-4,9-10H2.
What are the key properties of [3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol?
[3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol has a molecular weight of 261.30 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol is sourced from PubChem (CID 106529823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).