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

C16H19NO3 — CID 22952203

IUPAC(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C16H19NO3/c1-18-12-6-4-11(5-7-12)16(17)14-9-8-13(19-2)10-15(14)20-3/h4-10,16H,17H2,1-3H3
InChIKeyBLECVMLKEBWWJQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.76
Rot. Bonds5

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

(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine (PubChem CID 22952203) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
PubChem CID22952203
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C16H19NO3/c1-18-12-6-4-11(5-7-12)16(17)14-9-8-13(19-2)10-15(14)20-3/h4-10,16H,17H2,1-3H3
InChIKeyBLECVMLKEBWWJQ-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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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine (CID 22952203) is (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine?
The InChIKey is BLECVMLKEBWWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-12-6-4-11(5-7-12)16(17)14-9-8-13(19-2)10-15(14)20-3/h4-10,16H,17H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine?
(2,4-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 (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 22952203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).