(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine

C15H18N2O — CID 105025843

IUPAC(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
SMILESCOc1cncc(C(N)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C15H18N2O/c1-10-4-5-12(6-11(10)2)15(16)13-7-14(18-3)9-17-8-13/h4-9,15H,16H2,1-3H3
InChIKeyVYNRRNLCQCEHFN-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.76
Rot. Bonds3

About (3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine

(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine (PubChem CID 105025843) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
PubChem CID105025843
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
SMILESCOc1cncc(C(N)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C15H18N2O/c1-10-4-5-12(6-11(10)2)15(16)13-7-14(18-3)9-17-8-13/h4-9,15H,16H2,1-3H3
InChIKeyVYNRRNLCQCEHFN-UHFFFAOYSA-N
XLogP2.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 114330272
(3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105026161
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027423
(2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025888
(4-methoxy-3-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297303
1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine
CID 105026056
(3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine
CID 115827248
(3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83056988
(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine
CID 105026193
(3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027392
(3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027469
2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine
CID 105026220

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine?
The IUPAC name of (3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine (CID 105025843) is (3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for (3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine is COc1cncc(C(N)c2ccc(C)c(C)c2)c1.
What is the InChIKey of (3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine?
The InChIKey is VYNRRNLCQCEHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-4-5-12(6-11(10)2)15(16)13-7-14(18-3)9-17-8-13/h4-9,15H,16H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine?
(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105025843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).