(1S)-1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol

C15H18FNO2 — CID 55183737

IUPAC(1S)-1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
SMILESCc1occc1CN(C)c1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C15H18FNO2/c1-10(18)14-8-13(16)4-5-15(14)17(3)9-12-6-7-19-11(12)2/h4-8,10,18H,9H2,1-3H3/t10-/m0/s1
InChIKeyLSWJIZNLJGGGJS-JTQLQIEISA-N
MW263.31 g/mol
LogP3.42
Rot. Bonds4

About (1S)-1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol

(1S)-1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol (PubChem CID 55183737) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
PubChem CID55183737
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name(1S)-1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
SMILESCc1occc1CN(C)c1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C15H18FNO2/c1-10(18)14-8-13(16)4-5-15(14)17(3)9-12-6-7-19-11(12)2/h4-8,10,18H,9H2,1-3H3/t10-/m0/s1
InChIKeyLSWJIZNLJGGGJS-JTQLQIEISA-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 (1S)-1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol (CID 55183737) is (1S)-1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol is Cc1occc1CN(C)c1ccc(F)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol?
The InChIKey is LSWJIZNLJGGGJS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18FNO2/c1-10(18)14-8-13(16)4-5-15(14)17(3)9-12-6-7-19-11(12)2/h4-8,10,18H,9H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol?
(1S)-1-[5-fluoro-2-[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 (1S)-1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol is sourced from PubChem (CID 55183737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).