(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine

C16H19NO3 — CID 43197203

IUPAC(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C16H19NO3/c1-18-12-6-4-11(5-7-12)16(17)14-10-13(19-2)8-9-15(14)20-3/h4-10,16H,17H2,1-3H3
InChIKeyNGLWSJOAWZOCKE-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.76
Rot. Bonds5

About (2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine

(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine (PubChem CID 43197203) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
PubChem CID43197203
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C16H19NO3/c1-18-12-6-4-11(5-7-12)16(17)14-10-13(19-2)8-9-15(14)20-3/h4-10,16H,17H2,1-3H3
InChIKeyNGLWSJOAWZOCKE-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
CID 43124868
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464043
(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 63093313
(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 105056617
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197194
(4-methoxyphenyl)-(2-methylphenyl)methanamine
CID 24688459
(2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559426
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160952
(2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102842057
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine (CID 43197203) is (2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine is COc1ccc(C(N)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine?
The InChIKey is NGLWSJOAWZOCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-12-6-4-11(5-7-12)16(17)14-10-13(19-2)8-9-15(14)20-3/h4-10,16H,17H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine?
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine has a molecular weight of 273.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 43197203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).