(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine

C17H21NO3 — CID 43197204

IUPAC(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1cc(OC)ccc1OC
InChIInChI=1S/C17H21NO3/c1-4-21-16-8-6-5-7-13(16)17(18)14-11-12(19-2)9-10-15(14)20-3/h5-11,17H,4,18H2,1-3H3
InChIKeyDWNIWNZOQXLKKV-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.15
Rot. Bonds6

About (2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine

(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine (PubChem CID 43197204) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
PubChem CID43197204
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1cc(OC)ccc1OC
InChIInChI=1S/C17H21NO3/c1-4-21-16-8-6-5-7-13(16)17(18)14-11-12(19-2)9-10-15(14)20-3/h5-11,17H,4,18H2,1-3H3
InChIKeyDWNIWNZOQXLKKV-UHFFFAOYSA-N
XLogP3.15
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197194
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
3-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974436
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)butan-2-ol
CID 96603983
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762
2-(2,5-dimethoxyphenyl)hexan-3-amine
CID 83047231
1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115533560
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
CID 82709740

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine?
The IUPAC name of (2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine (CID 43197204) is (2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine?
The canonical SMILES for (2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine is CCOc1ccccc1C(N)c1cc(OC)ccc1OC.
What is the InChIKey of (2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine?
The InChIKey is DWNIWNZOQXLKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-21-16-8-6-5-7-13(16)17(18)14-11-12(19-2)9-10-15(14)20-3/h5-11,17H,4,18H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine?
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine has a molecular weight of 287.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine is sourced from PubChem (CID 43197204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).