(1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine

C16H18FNO2 — CID 107718291

IUPAC(1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1cccc(COc2ccc([C@@H](C)N)c(F)c2)c1
InChIInChI=1S/C16H18FNO2/c1-11(18)15-7-6-14(9-16(15)17)20-10-12-4-3-5-13(8-12)19-2/h3-9,11H,10,18H2,1-2H3/t11-/m1/s1
InChIKeyFVXWRLCTRHDNGE-LLVKDONJSA-N
MW275.32 g/mol
LogP3.43
Rot. Bonds5

About (1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine

(1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine (PubChem CID 107718291) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
PubChem CID107718291
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1cccc(COc2ccc([C@@H](C)N)c(F)c2)c1
InChIInChI=1S/C16H18FNO2/c1-11(18)15-7-6-14(9-16(15)17)20-10-12-4-3-5-13(8-12)19-2/h3-9,11H,10,18H2,1-2H3/t11-/m1/s1
InChIKeyFVXWRLCTRHDNGE-LLVKDONJSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 107715958
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
1-[4-[(4-ethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107715998
1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107716098
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718926
(1R)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718357
(1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718303
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718633
1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43188969
2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol
CID 110185097
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine (CID 107718291) is (1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine is COc1cccc(COc2ccc([C@@H](C)N)c(F)c2)c1.
What is the InChIKey of (1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine?
The InChIKey is FVXWRLCTRHDNGE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(18)15-7-6-14(9-16(15)17)20-10-12-4-3-5-13(8-12)19-2/h3-9,11H,10,18H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine?
(1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine has a molecular weight of 275.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107718291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).