[5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol

C13H14FNO2 — CID 64578780

IUPAC[5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNCc2ccccc2F)o1
InChIInChI=1S/C13H14FNO2/c14-13-4-2-1-3-10(13)7-15-8-11-5-6-12(9-16)17-11/h1-6,15-16H,7-9H2
InChIKeySMPAEVUOJOXDNR-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.20
Rot. Bonds5

About [5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol

[5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol (PubChem CID 64578780) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is [5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol
PubChem CID64578780
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name[5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNCc2ccccc2F)o1
InChIInChI=1S/C13H14FNO2/c14-13-4-2-1-3-10(13)7-15-8-11-5-6-12(9-16)17-11/h1-6,15-16H,7-9H2
InChIKeySMPAEVUOJOXDNR-UHFFFAOYSA-N
XLogP2.20
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2-fluorophenyl)methoxymethyl]furan-2-yl]methyl]ethanamine
CID 63935555
2-[(2-fluorophenyl)methylamino]acetic acid
CID 5005584
2-[(2-fluorophenyl)methylamino]acetyl iodide
CID 122663057
[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]methanol
CID 115086766
[1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478431
[(2-fluorophenyl)methylamino]methanethiol
CID 115227992
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
[2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol
CID 111382379
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol
CID 111466623
[5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol
CID 64592561
[5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol
CID 107643965
3-[(2-fluorophenyl)methylamino]propanamide
CID 43090001

Frequently Asked Questions

What is the IUPAC name of [5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol (CID 64578780) is [5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol is OCc1ccc(CNCc2ccccc2F)o1.
What is the InChIKey of [5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol?
The InChIKey is SMPAEVUOJOXDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-13-4-2-1-3-10(13)7-15-8-11-5-6-12(9-16)17-11/h1-6,15-16H,7-9H2.
What are the key properties of [5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol?
[5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol has a molecular weight of 235.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(2-fluorophenyl)methylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 64578780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).