(2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine

C15H18N2O2 — CID 63840532

IUPAC(2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)ccn2)c(OC)c1
InChIInChI=1S/C15H18N2O2/c1-10-6-7-17-13(8-10)15(16)12-5-4-11(18-2)9-14(12)19-3/h4-9,15H,16H2,1-3H3
InChIKeyYJHFUTUJYOTBCN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.46
Rot. Bonds4

About (2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine

(2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine (PubChem CID 63840532) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine
PubChem CID63840532
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)ccn2)c(OC)c1
InChIInChI=1S/C15H18N2O2/c1-10-6-7-17-13(8-10)15(16)12-5-4-11(18-2)9-14(12)19-3/h4-9,15H,16H2,1-3H3
InChIKeyYJHFUTUJYOTBCN-UHFFFAOYSA-N
XLogP2.46
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.46
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-methyl-2-pyridinyl)methanamine?
The IUPAC name of (2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine (CID 63840532) is (2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine?
The canonical SMILES for (2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine is COc1ccc(C(N)c2cc(C)ccn2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine?
The InChIKey is YJHFUTUJYOTBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-6-7-17-13(8-10)15(16)12-5-4-11(18-2)9-14(12)19-3/h4-9,15H,16H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine?
(2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine has a molecular weight of 258.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 63840532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).