1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine

C17H20FNO2 — CID 107700785

IUPAC1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine
SMILESCOc1ccc(COc2ccc(F)cc2CC(C)N)cc1
InChIInChI=1S/C17H20FNO2/c1-12(19)9-14-10-15(18)5-8-17(14)21-11-13-3-6-16(20-2)7-4-13/h3-8,10,12H,9,11,19H2,1-2H3
InChIKeyCNZBGGHTUIQFKC-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.30
Rot. Bonds6

About 1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine

1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine (PubChem CID 107700785) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine
PubChem CID107700785
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine
SMILESCOc1ccc(COc2ccc(F)cc2CC(C)N)cc1
InChIInChI=1S/C17H20FNO2/c1-12(19)9-14-10-15(18)5-8-17(14)21-11-13-3-6-16(20-2)7-4-13/h3-8,10,12H,9,11,19H2,1-2H3
InChIKeyCNZBGGHTUIQFKC-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-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine
CID 60906463
1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908427
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107701121
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-[5-fluoro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 107701061
1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60908017
1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63802818
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081
2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine (CID 107700785) is 1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine is COc1ccc(COc2ccc(F)cc2CC(C)N)cc1.
What is the InChIKey of 1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is CNZBGGHTUIQFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(19)9-14-10-15(18)5-8-17(14)21-11-13-3-6-16(20-2)7-4-13/h3-8,10,12H,9,11,19H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine?
1-[5-fluoro-2-[(4-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-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 107700785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).