1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine

C16H18FNO2 — CID 63803801

IUPAC1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine
SMILESCOc1ccccc1Oc1ccc(CC(C)N)cc1F
InChIInChI=1S/C16H18FNO2/c1-11(18)9-12-7-8-14(13(17)10-12)20-16-6-4-3-5-15(16)19-2/h3-8,10-11H,9,18H2,1-2H3
InChIKeyAUOOVCNFNVJOSG-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.52
Rot. Bonds5

About 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine

1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine (PubChem CID 63803801) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine
PubChem CID63803801
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine
SMILESCOc1ccccc1Oc1ccc(CC(C)N)cc1F
InChIInChI=1S/C16H18FNO2/c1-11(18)9-12-7-8-14(13(17)10-12)20-16-6-4-3-5-15(16)19-2/h3-8,10-11H,9,18H2,1-2H3
InChIKeyAUOOVCNFNVJOSG-UHFFFAOYSA-N
XLogP3.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine
CID 107661710
1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine
CID 63803510
4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181
1-[3-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63943521
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine
CID 43283304
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 107693096
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
CID 107693191
1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
CID 107693028
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine (CID 63803801) is 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine is COc1ccccc1Oc1ccc(CC(C)N)cc1F.
What is the InChIKey of 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine?
The InChIKey is AUOOVCNFNVJOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(18)9-12-7-8-14(13(17)10-12)20-16-6-4-3-5-15(16)19-2/h3-8,10-11H,9,18H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine?
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine has a molecular weight of 275.32 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63803801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).