2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine

C12H18FNO2 — CID 103228719

IUPAC2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine
SMILESCNCC(COC)OCc1ccccc1F
InChIInChI=1S/C12H18FNO2/c1-14-7-11(9-15-2)16-8-10-5-3-4-6-12(10)13/h3-6,11,14H,7-9H2,1-2H3
InChIKeySSXQPNKYMIXFSA-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.58
Rot. Bonds7

About 2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine

2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine (PubChem CID 103228719) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine
PubChem CID103228719
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine
SMILESCNCC(COC)OCc1ccccc1F
InChIInChI=1S/C12H18FNO2/c1-14-7-11(9-15-2)16-8-10-5-3-4-6-12(10)13/h3-6,11,14H,7-9H2,1-2H3
InChIKeySSXQPNKYMIXFSA-UHFFFAOYSA-N
XLogP1.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine
CID 63936975
2-(3-fluorophenyl)-2-[(2-fluorophenyl)methoxy]-N-methylethanamine
CID 63933012
3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine
CID 63935715
1-(2-fluorophenyl)-3-(methylamino)propan-2-ol
CID 64989565
N-[2-[(2-chlorophenyl)methoxy]-3-methoxypropyl]-2-methylpropan-2-amine
CID 103227796
2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 114079004
1-fluoro-2-(methoxymethoxymethyl)benzene
CID 10920940
2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine
CID 82831669
2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799437
2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine
CID 107170775
3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol
CID 114358290
2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984662

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine (CID 103228719) is 2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine is CNCC(COC)OCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine?
The InChIKey is SSXQPNKYMIXFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-14-7-11(9-15-2)16-8-10-5-3-4-6-12(10)13/h3-6,11,14H,7-9H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine?
2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine has a molecular weight of 227.28 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 103228719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).