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

C15H22FNO — CID 107399695

IUPAC(1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
SMILESCCN(CC1CCC1)c1cccc(F)c1[C@@H](C)O
InChIInChI=1S/C15H22FNO/c1-3-17(10-12-6-4-7-12)14-9-5-8-13(16)15(14)11(2)18/h5,8-9,11-12,18H,3-4,6-7,10H2,1-2H3/t11-/m1/s1
InChIKeyWSMKWIVJRXTPLE-LLVKDONJSA-N
MW251.34 g/mol
LogP3.51
Rot. Bonds5

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

(1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol (PubChem CID 107399695) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
PubChem CID107399695
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
SMILESCCN(CC1CCC1)c1cccc(F)c1[C@@H](C)O
InChIInChI=1S/C15H22FNO/c1-3-17(10-12-6-4-7-12)14-9-5-8-13(16)15(14)11(2)18/h5,8-9,11-12,18H,3-4,6-7,10H2,1-2H3/t11-/m1/s1
InChIKeyWSMKWIVJRXTPLE-LLVKDONJSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78954480
(1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol
CID 107399653
(1R)-1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanol
CID 63371083
(1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol
CID 78948278
(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78939475
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
CID 78939265
(1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol
CID 78941206
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 63955607
(1S)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 78939528
(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 63370786
1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanol
CID 61448699
1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol
CID 43506187

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol (CID 107399695) is (1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol is CCN(CC1CCC1)c1cccc(F)c1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol?
The InChIKey is WSMKWIVJRXTPLE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-17(10-12-6-4-7-12)14-9-5-8-13(16)15(14)11(2)18/h5,8-9,11-12,18H,3-4,6-7,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol?
(1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol has a molecular weight of 251.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol is sourced from PubChem (CID 107399695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).