2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine

C13H15FN2O2 — CID 112615166

IUPAC2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine
SMILESCc1cc(COc2c(F)cccc2CCN)no1
InChIInChI=1S/C13H15FN2O2/c1-9-7-11(16-18-9)8-17-13-10(5-6-15)3-2-4-12(13)14/h2-4,7H,5-6,8,15H2,1H3
InChIKeyBTBPVDKYMUCMRQ-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.20
Rot. Bonds5

About 2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine

2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 112615166) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID112615166
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine
SMILESCc1cc(COc2c(F)cccc2CCN)no1
InChIInChI=1S/C13H15FN2O2/c1-9-7-11(16-18-9)8-17-13-10(5-6-15)3-2-4-12(13)14/h2-4,7H,5-6,8,15H2,1H3
InChIKeyBTBPVDKYMUCMRQ-UHFFFAOYSA-N
XLogP2.20
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 112608092
2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 112615255
2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 112615245
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 112615303
2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 112615109
N-[[3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609097
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde
CID 79831604
3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
CID 60673786
N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine
CID 115953321

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine (CID 112615166) is 2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine is Cc1cc(COc2c(F)cccc2CCN)no1.
What is the InChIKey of 2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is BTBPVDKYMUCMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9-7-11(16-18-9)8-17-13-10(5-6-15)3-2-4-12(13)14/h2-4,7H,5-6,8,15H2,1H3.
What are the key properties of 2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine?
2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 250.27 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 112615166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).