(1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol

C15H24FNO — CID 55183938

IUPAC(1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol
SMILESCC(C)CN(c1cccc(F)c1[C@H](C)O)C(C)C
InChIInChI=1S/C15H24FNO/c1-10(2)9-17(11(3)4)14-8-6-7-13(16)15(14)12(5)18/h6-8,10-12,18H,9H2,1-5H3/t12-/m0/s1
InChIKeyZPLIKULJRXQOSA-LBPRGKRZSA-N
MW253.36 g/mol
LogP3.75
Rot. Bonds5

About (1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol

(1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol (PubChem CID 55183938) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol
PubChem CID55183938
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name(1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol
SMILESCC(C)CN(c1cccc(F)c1[C@H](C)O)C(C)C
InChIInChI=1S/C15H24FNO/c1-10(2)9-17(11(3)4)14-8-6-7-13(16)15(14)12(5)18/h6-8,10-12,18H,9H2,1-5H3/t12-/m0/s1
InChIKeyZPLIKULJRXQOSA-LBPRGKRZSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol (CID 55183938) is (1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol is CC(C)CN(c1cccc(F)c1[C@H](C)O)C(C)C.
What is the InChIKey of (1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol?
The InChIKey is ZPLIKULJRXQOSA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24FNO/c1-10(2)9-17(11(3)4)14-8-6-7-13(16)15(14)12(5)18/h6-8,10-12,18H,9H2,1-5H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol?
(1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol has a molecular weight of 253.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol is sourced from PubChem (CID 55183938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).