1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine

C17H20FNO2 — CID 60908017

IUPAC1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OCc1cccc(F)c1
InChIInChI=1S/C17H20FNO2/c1-12(19)9-14-6-4-8-16(20-2)17(14)21-11-13-5-3-7-15(18)10-13/h3-8,10,12H,9,11,19H2,1-2H3
InChIKeyPXCAFHPJEJZVPN-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.30
Rot. Bonds6

About 1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine

1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine (PubChem CID 60908017) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
PubChem CID60908017
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OCc1cccc(F)c1
InChIInChI=1S/C17H20FNO2/c1-12(19)9-14-6-4-8-16(20-2)17(14)21-11-13-5-3-7-15(18)10-13/h3-8,10,12H,9,11,19H2,1-2H3
InChIKeyPXCAFHPJEJZVPN-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
CID 60906569
1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60906800
1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 115958705
N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 43471952
1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115958647
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 107700785
1-[2-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958685
[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 168529917
1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79263428
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine?
The IUPAC name of 1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine (CID 60908017) is 1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine is COc1cccc(CC(C)N)c1OCc1cccc(F)c1.
What is the InChIKey of 1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine?
The InChIKey is PXCAFHPJEJZVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(19)9-14-6-4-8-16(20-2)17(14)21-11-13-5-3-7-15(18)10-13/h3-8,10,12H,9,11,19H2,1-2H3.
What are the key properties of 1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine?
1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine has a molecular weight of 289.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 60908017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).