1-[2-fluoro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol

C15H18FNO2 — CID 61426588

IUPAC1-[2-fluoro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
SMILESCc1occc1CN(C)c1cccc(F)c1C(C)O
InChIInChI=1S/C15H18FNO2/c1-10(18)15-13(16)5-4-6-14(15)17(3)9-12-7-8-19-11(12)2/h4-8,10,18H,9H2,1-3H3
InChIKeyUAVQHSPLLOSZLS-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.42
Rot. Bonds4

About 1-[2-fluoro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol

1-[2-fluoro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol (PubChem CID 61426588) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[2-fluoro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
PubChem CID61426588
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name1-[2-fluoro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
SMILESCc1occc1CN(C)c1cccc(F)c1C(C)O
InChIInChI=1S/C15H18FNO2/c1-10(18)15-13(16)5-4-6-14(15)17(3)9-12-7-8-19-11(12)2/h4-8,10,18H,9H2,1-3H3
InChIKeyUAVQHSPLLOSZLS-UHFFFAOYSA-N
XLogP3.42
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol (CID 61426588) is 1-[2-fluoro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol is Cc1occc1CN(C)c1cccc(F)c1C(C)O.
What is the InChIKey of 1-[2-fluoro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol?
The InChIKey is UAVQHSPLLOSZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-10(18)15-13(16)5-4-6-14(15)17(3)9-12-7-8-19-11(12)2/h4-8,10,18H,9H2,1-3H3.
What are the key properties of 1-[2-fluoro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol?
1-[2-fluoro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol has a molecular weight of 263.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol is sourced from PubChem (CID 61426588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).