2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol

C14H20FNO2 — CID 102676925

IUPAC2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
SMILESCOc1ccc(F)cc1CN(CCO)C1CCC1
InChIInChI=1S/C14H20FNO2/c1-18-14-6-5-12(15)9-11(14)10-16(7-8-17)13-3-2-4-13/h5-6,9,13,17H,2-4,7-8,10H2,1H3
InChIKeyUTRKIDZLOMMPBD-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.18
Rot. Bonds6

About 2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol

2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol (PubChem CID 102676925) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
PubChem CID102676925
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
SMILESCOc1ccc(F)cc1CN(CCO)C1CCC1
InChIInChI=1S/C14H20FNO2/c1-18-14-6-5-12(15)9-11(14)10-16(7-8-17)13-3-2-4-13/h5-6,9,13,17H,2-4,7-8,10H2,1H3
InChIKeyUTRKIDZLOMMPBD-UHFFFAOYSA-N
XLogP2.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 60510272
2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol
CID 60694517
1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60911414
3-[3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 102869818
2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 54995976
2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 60774401
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol
CID 102860731
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
CID 102676936
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
2-[(2-chloro-4-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 60694126
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 79115454

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol (CID 102676925) is 2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol is COc1ccc(F)cc1CN(CCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol?
The InChIKey is UTRKIDZLOMMPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-18-14-6-5-12(15)9-11(14)10-16(7-8-17)13-3-2-4-13/h5-6,9,13,17H,2-4,7-8,10H2,1H3.
What are the key properties of 2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol?
2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol has a molecular weight of 253.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol is sourced from PubChem (CID 102676925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).