(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol

C13H20FNO — CID 63370786

IUPAC(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
SMILESCCN(c1cccc(F)c1[C@@H](C)O)C(C)C
InChIInChI=1S/C13H20FNO/c1-5-15(9(2)3)12-8-6-7-11(14)13(12)10(4)16/h6-10,16H,5H2,1-4H3/t10-/m1/s1
InChIKeySJXORULMNPWQTQ-SNVBAGLBSA-N
MW225.31 g/mol
LogP3.11
Rot. Bonds4

About (1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol

(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol (PubChem CID 63370786) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is (1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
PubChem CID63370786
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
SMILESCCN(c1cccc(F)c1[C@@H](C)O)C(C)C
InChIInChI=1S/C13H20FNO/c1-5-15(9(2)3)12-8-6-7-11(14)13(12)10(4)16/h6-10,16H,5H2,1-4H3/t10-/m1/s1
InChIKeySJXORULMNPWQTQ-SNVBAGLBSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 78939528
1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol
CID 43506187
(1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol
CID 55183938
N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 43284569
(1R)-1-[2-fluoro-6-[methyl(propan-2-yl)amino]phenyl]ethanol
CID 63371539
(1R)-1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanol
CID 63371083
(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78939475
1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63965516
(1R)-1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955151
1-(2,6-difluorophenyl)ethanol
CID 5012075
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78954480

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol (CID 63370786) is (1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol is CCN(c1cccc(F)c1[C@@H](C)O)C(C)C.
What is the InChIKey of (1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol?
The InChIKey is SJXORULMNPWQTQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20FNO/c1-5-15(9(2)3)12-8-6-7-11(14)13(12)10(4)16/h6-10,16H,5H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol?
(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol has a molecular weight of 225.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol is sourced from PubChem (CID 63370786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).