1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine

C16H19NO3 — CID 43589925

IUPAC1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine
SMILESCOc1cc(OC)cc(Oc2ccccc2C(C)N)c1
InChIInChI=1S/C16H19NO3/c1-11(17)15-6-4-5-7-16(15)20-14-9-12(18-2)8-13(10-14)19-3/h4-11H,17H2,1-3H3
InChIKeyNVPDGQVEFJKSSK-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.52
Rot. Bonds5

About 1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine

1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine (PubChem CID 43589925) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine
PubChem CID43589925
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine
SMILESCOc1cc(OC)cc(Oc2ccccc2C(C)N)c1
InChIInChI=1S/C16H19NO3/c1-11(17)15-6-4-5-7-16(15)20-14-9-12(18-2)8-13(10-14)19-3/h4-11H,17H2,1-3H3
InChIKeyNVPDGQVEFJKSSK-UHFFFAOYSA-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

1-[2-(4-chlorophenoxy)phenyl]ethanamine
CID 43189173
(1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine
CID 79403679
1,3-dimethoxy-5-(2-methoxyphenoxy)benzene
CID 14020528
(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986581
(1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine
CID 103201771
1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 63647836
(1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 55244815
(1R)-1-[2-(3-methoxyphenoxy)phenyl]propan-1-amine
CID 103739046
(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169557
(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 78996800
1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
CID 43094702
1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 43807088

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine (CID 43589925) is 1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine is COc1cc(OC)cc(Oc2ccccc2C(C)N)c1.
What is the InChIKey of 1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine?
The InChIKey is NVPDGQVEFJKSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(17)15-6-4-5-7-16(15)20-14-9-12(18-2)8-13(10-14)19-3/h4-11H,17H2,1-3H3.
What are the key properties of 1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine?
1-[2-(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 1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine is sourced from PubChem (CID 43589925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).