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

C11H16FNO — CID 117287115

IUPAC1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1cccc(CC(C)N)c1F
InChIInChI=1S/C11H16FNO/c1-8(13)6-9-4-3-5-10(7-14-2)11(9)12/h3-5,8H,6-7,13H2,1-2H3
InChIKeyBQTXWVJQDZZWCB-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.86
Rot. Bonds4

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

1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine (PubChem CID 117287115) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine
PubChem CID117287115
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1cccc(CC(C)N)c1F
InChIInChI=1S/C11H16FNO/c1-8(13)6-9-4-3-5-10(7-14-2)11(9)12/h3-5,8H,6-7,13H2,1-2H3
InChIKeyBQTXWVJQDZZWCB-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
CID 117279565
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine
CID 117287117
2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine
CID 117287255
1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117302099
1-[2-fluoro-3-(methoxymethyl)phenyl]ethanol
CID 117279865
3-[2-fluoro-3-(methoxymethyl)phenyl]butan-1-amine
CID 117302072
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
CID 88945254
CID 88945254
1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958090
(2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine
CID 130795022
1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine (CID 117287115) is 1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine is COCc1cccc(CC(C)N)c1F.
What is the InChIKey of 1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine?
The InChIKey is BQTXWVJQDZZWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(13)6-9-4-3-5-10(7-14-2)11(9)12/h3-5,8H,6-7,13H2,1-2H3.
What are the key properties of 1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine?
1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine has a molecular weight of 197.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117287115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).