(2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine

C15H18N2O — CID 105025888

IUPAC(2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
SMILESCOc1cncc(C(N)c2cc(C)ccc2C)c1
InChIInChI=1S/C15H18N2O/c1-10-4-5-11(2)14(6-10)15(16)12-7-13(18-3)9-17-8-12/h4-9,15H,16H2,1-3H3
InChIKeyDXOSALLAWBDKNE-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.76
Rot. Bonds3

About (2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine

(2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine (PubChem CID 105025888) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
PubChem CID105025888
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
SMILESCOc1cncc(C(N)c2cc(C)ccc2C)c1
InChIInChI=1S/C15H18N2O/c1-10-4-5-11(2)14(6-10)15(16)12-7-13(18-3)9-17-8-12/h4-9,15H,16H2,1-3H3
InChIKeyDXOSALLAWBDKNE-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

(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026374
(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025843
2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine
CID 105026220
(2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027342
(4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 114330272
(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine
CID 105026193
1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025878
(5-fluoro-2-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297192
2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
CID 105026038
(5-bromo-2-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828827
(2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 105013705
(5-methoxy-3-pyridinyl)-(2,4,6-trifluorophenyl)methanamine
CID 105026146

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine?
The IUPAC name of (2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine (CID 105025888) is (2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for (2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine is COc1cncc(C(N)c2cc(C)ccc2C)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine?
The InChIKey is DXOSALLAWBDKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-4-5-11(2)14(6-10)15(16)12-7-13(18-3)9-17-8-12/h4-9,15H,16H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine?
(2,5-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 (2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105025888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).