[5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol

C17H20FNO2 — CID 99780599

IUPAC[5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol
SMILESC[C@@H](c1ccccc1F)N(Cc1ccc(CO)o1)C1CC1
InChIInChI=1S/C17H20FNO2/c1-12(16-4-2-3-5-17(16)18)19(13-6-7-13)10-14-8-9-15(11-20)21-14/h2-5,8-9,12-13,20H,6-7,10-11H2,1H3/t12-/m0/s1
InChIKeyLHDUEPUWYXZBLX-LBPRGKRZSA-N
MW289.35 g/mol
LogP3.64
Rot. Bonds6

About [5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol

[5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol (PubChem CID 99780599) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is [5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol
PubChem CID99780599
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name[5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol
SMILESC[C@@H](c1ccccc1F)N(Cc1ccc(CO)o1)C1CC1
InChIInChI=1S/C17H20FNO2/c1-12(16-4-2-3-5-17(16)18)19(13-6-7-13)10-14-8-9-15(11-20)21-14/h2-5,8-9,12-13,20H,6-7,10-11H2,1H3/t12-/m0/s1
InChIKeyLHDUEPUWYXZBLX-LBPRGKRZSA-N
XLogP3.64
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide
CID 51965688
N-(2-acetylphenyl)-2-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]acetamide
CID 56525295
N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 78897575
N-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide
CID 56525381
3-[cyclopropyl(ethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679918
2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 95294341
N-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine
CID 56514294
1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea
CID 95972952
[5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol
CID 131908508
2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol
CID 111122684
3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 102871115
5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid
CID 62979551

Frequently Asked Questions

What is the IUPAC name of [5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol (CID 99780599) is [5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol is C[C@@H](c1ccccc1F)N(Cc1ccc(CO)o1)C1CC1.
What is the InChIKey of [5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol?
The InChIKey is LHDUEPUWYXZBLX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(16-4-2-3-5-17(16)18)19(13-6-7-13)10-14-8-9-15(11-20)21-14/h2-5,8-9,12-13,20H,6-7,10-11H2,1H3/t12-/m0/s1.
What are the key properties of [5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol?
[5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol has a molecular weight of 289.35 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 99780599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).