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

C17H20FNO2 — CID 115958705

IUPAC1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine
SMILESCOc1cccc(COc2c(F)cccc2CC(C)N)c1
InChIInChI=1S/C17H20FNO2/c1-12(19)9-14-6-4-8-16(18)17(14)21-11-13-5-3-7-15(10-13)20-2/h3-8,10,12H,9,11,19H2,1-2H3
InChIKeyRYXCAMROIKDZBD-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.30
Rot. Bonds6

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

1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine (PubChem CID 115958705) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine
PubChem CID115958705
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine
SMILESCOc1cccc(COc2c(F)cccc2CC(C)N)c1
InChIInChI=1S/C17H20FNO2/c1-12(19)9-14-6-4-8-16(18)17(14)21-11-13-5-3-7-15(10-13)20-2/h3-8,10,12H,9,11,19H2,1-2H3
InChIKeyRYXCAMROIKDZBD-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-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115958647
1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60908017
1-[3-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 102878226
1-[2-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958685
1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 114857545
1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43188969
1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine
CID 115958617
1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
CID 60906569
1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958703
1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 112615919
(1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107718291

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine (CID 115958705) is 1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine is COc1cccc(COc2c(F)cccc2CC(C)N)c1.
What is the InChIKey of 1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is RYXCAMROIKDZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(19)9-14-6-4-8-16(18)17(14)21-11-13-5-3-7-15(10-13)20-2/h3-8,10,12H,9,11,19H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine?
1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]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-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 115958705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).