2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine

C11H16FNO — CID 117287255

IUPAC2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine
SMILESCOCc1cccc(C(C)CN)c1F
InChIInChI=1S/C11H16FNO/c1-8(6-13)10-5-3-4-9(7-14-2)11(10)12/h3-5,8H,6-7,13H2,1-2H3
InChIKeySFYVCPFZXSDZLJ-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.03
Rot. Bonds4

About 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine

2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine (PubChem CID 117287255) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine
PubChem CID117287255
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine
SMILESCOCc1cccc(C(C)CN)c1F
InChIInChI=1S/C11H16FNO/c1-8(6-13)10-5-3-4-9(7-14-2)11(10)12/h3-5,8H,6-7,13H2,1-2H3
InChIKeySFYVCPFZXSDZLJ-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-fluoro-3-(methoxymethyl)phenyl]butan-1-amine
CID 117302072
2-(1-aminopropan-2-yl)-6-(methoxymethyl)phenol
CID 83879383
1-[2-fluoro-3-(methoxymethyl)phenyl]ethanol
CID 117279865
3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid
CID 117326599
1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine
CID 117287115
2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
CID 117279565
2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84667736
2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine
CID 117441898
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447
CID 88945254
CID 88945254
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117302099

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine?
The IUPAC name of 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine (CID 117287255) is 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine is COCc1cccc(C(C)CN)c1F.
What is the InChIKey of 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine?
The InChIKey is SFYVCPFZXSDZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(6-13)10-5-3-4-9(7-14-2)11(10)12/h3-5,8H,6-7,13H2,1-2H3.
What are the key properties of 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine?
2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine has a molecular weight of 197.25 g/mol, XLogP of 2.03, 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]propan-1-amine is sourced from PubChem (CID 117287255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).