[3-(3,5-dimethoxyphenoxy)phenyl]methanamine

C15H17NO3 — CID 63942718

IUPAC[3-(3,5-dimethoxyphenoxy)phenyl]methanamine
SMILESCOc1cc(OC)cc(Oc2cccc(CN)c2)c1
InChIInChI=1S/C15H17NO3/c1-17-13-7-14(18-2)9-15(8-13)19-12-5-3-4-11(6-12)10-16/h3-9H,10,16H2,1-2H3
InChIKeyVQEGZJIUOUXUCX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.95
Rot. Bonds5

About [3-(3,5-dimethoxyphenoxy)phenyl]methanamine

[3-(3,5-dimethoxyphenoxy)phenyl]methanamine (PubChem CID 63942718) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is [3-(3,5-dimethoxyphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3,5-dimethoxyphenoxy)phenyl]methanamine
PubChem CID63942718
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name[3-(3,5-dimethoxyphenoxy)phenyl]methanamine
SMILESCOc1cc(OC)cc(Oc2cccc(CN)c2)c1
InChIInChI=1S/C15H17NO3/c1-17-13-7-14(18-2)9-15(8-13)19-12-5-3-4-11(6-12)10-16/h3-9H,10,16H2,1-2H3
InChIKeyVQEGZJIUOUXUCX-UHFFFAOYSA-N
XLogP2.95
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethoxyphenoxy)phenyl]methanamine?
The IUPAC name of [3-(3,5-dimethoxyphenoxy)phenyl]methanamine (CID 63942718) is [3-(3,5-dimethoxyphenoxy)phenyl]methanamine.
What is the SMILES notation for [3-(3,5-dimethoxyphenoxy)phenyl]methanamine?
The canonical SMILES for [3-(3,5-dimethoxyphenoxy)phenyl]methanamine is COc1cc(OC)cc(Oc2cccc(CN)c2)c1.
What is the InChIKey of [3-(3,5-dimethoxyphenoxy)phenyl]methanamine?
The InChIKey is VQEGZJIUOUXUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-17-13-7-14(18-2)9-15(8-13)19-12-5-3-4-11(6-12)10-16/h3-9H,10,16H2,1-2H3.
What are the key properties of [3-(3,5-dimethoxyphenoxy)phenyl]methanamine?
[3-(3,5-dimethoxyphenoxy)phenyl]methanamine has a molecular weight of 259.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethoxyphenoxy)phenyl]methanamine is sourced from PubChem (CID 63942718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).