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

C12H18FNO — CID 117302099

IUPAC1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
SMILESCOCc1cccc(CC(C)(C)N)c1F
InChIInChI=1S/C12H18FNO/c1-12(2,14)7-9-5-4-6-10(8-15-3)11(9)13/h4-6H,7-8,14H2,1-3H3
InChIKeyYKRURAMZUORYFX-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.25
Rot. Bonds4

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

1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine (PubChem CID 117302099) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
PubChem CID117302099
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
SMILESCOCc1cccc(CC(C)(C)N)c1F
InChIInChI=1S/C12H18FNO/c1-12(2,14)7-9-5-4-6-10(8-15-3)11(9)13/h4-6H,7-8,14H2,1-3H3
InChIKeyYKRURAMZUORYFX-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
CID 117279565
1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine
CID 117287115
CID 88945254
CID 88945254
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine
CID 117288691
1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117284060
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117355422
1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327193
1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine
CID 117302009
1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117441916
2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine
CID 117287255

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine (CID 117302099) is 1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine is COCc1cccc(CC(C)(C)N)c1F.
What is the InChIKey of 1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine?
The InChIKey is YKRURAMZUORYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(2,14)7-9-5-4-6-10(8-15-3)11(9)13/h4-6H,7-8,14H2,1-3H3.
What are the key properties of 1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine?
1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.25, 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]-2-methylpropan-2-amine is sourced from PubChem (CID 117302099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).