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

C14H20FNO2 — CID 114059222

IUPAC1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
SMILESCC(O)c1cccc(F)c1N(C)C1CCOC1C
InChIInChI=1S/C14H20FNO2/c1-9(17)11-5-4-6-12(15)14(11)16(3)13-7-8-18-10(13)2/h4-6,9-10,13,17H,7-8H2,1-3H3
InChIKeyMQOFHQWRSUUGLX-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.49
Rot. Bonds3

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

1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol (PubChem CID 114059222) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
PubChem CID114059222
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
SMILESCC(O)c1cccc(F)c1N(C)C1CCOC1C
InChIInChI=1S/C14H20FNO2/c1-9(17)11-5-4-6-12(15)14(11)16(3)13-7-8-18-10(13)2/h4-6,9-10,13,17H,7-8H2,1-3H3
InChIKeyMQOFHQWRSUUGLX-UHFFFAOYSA-N
XLogP2.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 114058774
(1R)-1-[2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82742779
1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82743779
1-(2-fluorophenyl)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 115997198
1-[5-bromo-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82971312
N,2-dimethyl-N-[2-[1-(methylamino)ethyl]phenyl]oxolan-3-amine
CID 82740072
1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone
CID 82739978
N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine
CID 82739333
N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739979
2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol
CID 82982688
N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine
CID 82742641
(2-fluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115781704

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol (CID 114059222) is 1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol is CC(O)c1cccc(F)c1N(C)C1CCOC1C.
What is the InChIKey of 1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol?
The InChIKey is MQOFHQWRSUUGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9(17)11-5-4-6-12(15)14(11)16(3)13-7-8-18-10(13)2/h4-6,9-10,13,17H,7-8H2,1-3H3.
What are the key properties of 1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol?
1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol has a molecular weight of 253.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol is sourced from PubChem (CID 114059222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).