2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine

C10H14FNO — CID 117279565

IUPAC2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1cccc(CCN)c1F
InChIInChI=1S/C10H14FNO/c1-13-7-9-4-2-3-8(5-6-12)10(9)11/h2-4H,5-7,12H2,1H3
InChIKeyVPXGTFHKINRRKT-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.47
Rot. Bonds4

About 2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine

2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine (PubChem CID 117279565) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
PubChem CID117279565
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1cccc(CCN)c1F
InChIInChI=1S/C10H14FNO/c1-13-7-9-4-2-3-8(5-6-12)10(9)11/h2-4H,5-7,12H2,1H3
InChIKeyVPXGTFHKINRRKT-UHFFFAOYSA-N
XLogP1.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117302099
1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine
CID 117287115
3-[2-fluoro-3-(methoxymethyl)phenyl]butan-1-amine
CID 117302072
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
CID 88945254
CID 88945254
2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine
CID 117287255
2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone
CID 117286739
2-fluoro-1-(isocyanatomethyl)-3-(methoxymethyl)benzene
CID 117284984
[1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117320226
(2-fluoro-3-propylphenyl)methanamine
CID 139576799
[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride
CID 19835696
1-[2-fluoro-3-(methoxymethyl)phenyl]ethanol
CID 117279865

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine?
The IUPAC name of 2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine (CID 117279565) is 2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine?
The canonical SMILES for 2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine is COCc1cccc(CCN)c1F.
What is the InChIKey of 2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine?
The InChIKey is VPXGTFHKINRRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-13-7-9-4-2-3-8(5-6-12)10(9)11/h2-4H,5-7,12H2,1H3.
What are the key properties of 2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine?
2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine has a molecular weight of 183.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 117279565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).