2-fluoro-3-methoxy-2-methylpropan-1-amine

C5H12FNO — CID 83853785

IUPAC2-fluoro-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)(F)CN
InChIInChI=1S/C5H12FNO/c1-5(6,3-7)4-8-2/h3-4,7H2,1-2H3
InChIKeyISEKIPXDTNWDPZ-UHFFFAOYSA-N
MW121.15 g/mol
LogP0.32
Rot. Bonds3

About 2-fluoro-3-methoxy-2-methylpropan-1-amine

2-fluoro-3-methoxy-2-methylpropan-1-amine (PubChem CID 83853785) has the molecular formula C5H12FNO and a molecular weight of 121.15 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methoxy-2-methylpropan-1-amine
PubChem CID83853785
Molecular FormulaC5H12FNO
Molecular Weight121.15 g/mol
Exact Mass121.09
IUPAC Name2-fluoro-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)(F)CN
InChIInChI=1S/C5H12FNO/c1-5(6,3-7)4-8-2/h3-4,7H2,1-2H3
InChIKeyISEKIPXDTNWDPZ-UHFFFAOYSA-N
XLogP0.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.15
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxypropylamine
CID 1672
Propylamine, 3-(2'-fluoroethoxy)-
CID 68969
3-Methoxy-2-methylpropan-1-amine
CID 22052176
3-Methoxy-2,2-dimethylpropan-1-amine
CID 28064871
(3-Fluorooxetan-3-yl)methanamine
CID 53346590
1-(3-(Fluoromethyl)oxetan-3-yl)methanamine
CID 105427161
1-(3-Fluorooxetan-3-yl)methanamine hydrochloride
CID 167741164
3-(3-Fluoropropoxy)propan-1-amine
CID 58684358
N-fluoro-3-methoxypropan-1-amine
CID 59335539
(2,4-Difluoro-3-methyloxetan-3-yl)methanamine
CID 67767343
2-Fluoro-3-methoxypropan-1-amine
CID 83853881
2,2-Difluoro-3-methoxypropan-1-amine
CID 84716052

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-2-methylpropan-1-amine?
The IUPAC name of 2-fluoro-3-methoxy-2-methylpropan-1-amine (CID 83853785) is 2-fluoro-3-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for 2-fluoro-3-methoxy-2-methylpropan-1-amine?
The canonical SMILES for 2-fluoro-3-methoxy-2-methylpropan-1-amine is COCC(C)(F)CN.
What is the InChIKey of 2-fluoro-3-methoxy-2-methylpropan-1-amine?
The InChIKey is ISEKIPXDTNWDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO/c1-5(6,3-7)4-8-2/h3-4,7H2,1-2H3.
What are the key properties of 2-fluoro-3-methoxy-2-methylpropan-1-amine?
2-fluoro-3-methoxy-2-methylpropan-1-amine has a molecular weight of 121.15 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 83853785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).