(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine

C16H19NO3 — CID 78938156

IUPAC(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine
SMILESCOc1cc(OC)cc(Oc2ccc([C@@H](C)N)cc2)c1
InChIInChI=1S/C16H19NO3/c1-11(17)12-4-6-13(7-5-12)20-16-9-14(18-2)8-15(10-16)19-3/h4-11H,17H2,1-3H3/t11-/m1/s1
InChIKeyVIBJOOBLCLYYFC-LLVKDONJSA-N
MW273.33 g/mol
LogP3.52
Rot. Bonds5

About (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine

(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine (PubChem CID 78938156) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine
PubChem CID78938156
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine
SMILESCOc1cc(OC)cc(Oc2ccc([C@@H](C)N)cc2)c1
InChIInChI=1S/C16H19NO3/c1-11(17)12-4-6-13(7-5-12)20-16-9-14(18-2)8-15(10-16)19-3/h4-11H,17H2,1-3H3/t11-/m1/s1
InChIKeyVIBJOOBLCLYYFC-LLVKDONJSA-N
XLogP3.52
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol
CID 78941782
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
(1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 83235043
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
1,3-dimethoxy-5-(4-methylphenoxy)benzene
CID 71396747
1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine
CID 61034522
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 79020482
N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
CID 43822825

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine (CID 78938156) is (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine is COc1cc(OC)cc(Oc2ccc([C@@H](C)N)cc2)c1.
What is the InChIKey of (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine?
The InChIKey is VIBJOOBLCLYYFC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(17)12-4-6-13(7-5-12)20-16-9-14(18-2)8-15(10-16)19-3/h4-11H,17H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine?
(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine has a molecular weight of 273.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine is sourced from PubChem (CID 78938156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).