1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine

C17H20FNO2 — CID 63984561

IUPAC1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine
SMILESCOCc1cccc(OC(c2ccc(F)cc2)C(C)N)c1
InChIInChI=1S/C17H20FNO2/c1-12(19)17(14-6-8-15(18)9-7-14)21-16-5-3-4-13(10-16)11-20-2/h3-10,12,17H,11,19H2,1-2H3
InChIKeyVSANVJOJOOGOBM-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.44
Rot. Bonds6

About 1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine

1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine (PubChem CID 63984561) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine
PubChem CID63984561
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine
SMILESCOCc1cccc(OC(c2ccc(F)cc2)C(C)N)c1
InChIInChI=1S/C17H20FNO2/c1-12(19)17(14-6-8-15(18)9-7-14)21-16-5-3-4-13(10-16)11-20-2/h3-10,12,17H,11,19H2,1-2H3
InChIKeyVSANVJOJOOGOBM-UHFFFAOYSA-N
XLogP3.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine
CID 63985747
1-(3-bromophenoxy)-1-(4-fluorophenyl)propan-2-amine
CID 55014732
1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine
CID 55015269
3-[3-(methoxymethyl)phenoxy]butan-2-amine
CID 63985757
1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55015652
2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
CID 63986561
2-[3-(methoxymethyl)phenoxy]pentan-3-amine
CID 63984771
1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986975
(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986581
2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine
CID 80605254
1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine
CID 63037095
3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine
CID 63985750

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine (CID 63984561) is 1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine is COCc1cccc(OC(c2ccc(F)cc2)C(C)N)c1.
What is the InChIKey of 1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine?
The InChIKey is VSANVJOJOOGOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(19)17(14-6-8-15(18)9-7-14)21-16-5-3-4-13(10-16)11-20-2/h3-10,12,17H,11,19H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine?
1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine has a molecular weight of 289.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine is sourced from PubChem (CID 63984561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).