(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine

C16H19NO2 — CID 63986581

IUPAC(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
SMILESCOCc1cccc(Oc2ccccc2[C@@H](C)N)c1
InChIInChI=1S/C16H19NO2/c1-12(17)15-8-3-4-9-16(15)19-14-7-5-6-13(10-14)11-18-2/h3-10,12H,11,17H2,1-2H3/t12-/m1/s1
InChIKeyMULQLBWEDSUNBU-GFCCVEGCSA-N
MW257.33 g/mol
LogP3.64
Rot. Bonds5

About (1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine

(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine (PubChem CID 63986581) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
PubChem CID63986581
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
SMILESCOCc1cccc(Oc2ccccc2[C@@H](C)N)c1
InChIInChI=1S/C16H19NO2/c1-12(17)15-8-3-4-9-16(15)19-14-7-5-6-13(10-14)11-18-2/h3-10,12H,11,17H2,1-2H3/t12-/m1/s1
InChIKeyMULQLBWEDSUNBU-GFCCVEGCSA-N
XLogP3.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986975
[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 43807088
3-[3-(methoxymethyl)phenoxy]butan-2-amine
CID 63985757
1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 43589925
1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 43105896
1-[3-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63943521
[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
CID 107926521
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine
CID 63943488
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine (CID 63986581) is (1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine is COCc1cccc(Oc2ccccc2[C@@H](C)N)c1.
What is the InChIKey of (1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine?
The InChIKey is MULQLBWEDSUNBU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(17)15-8-3-4-9-16(15)19-14-7-5-6-13(10-14)11-18-2/h3-10,12H,11,17H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine?
(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine has a molecular weight of 257.33 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine is sourced from PubChem (CID 63986581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).