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

C15H18N2O — CID 114054595

IUPAC(2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine
SMILESCOc1cccnc1C(N)c1cc(C)ccc1C
InChIInChI=1S/C15H18N2O/c1-10-6-7-11(2)12(9-10)14(16)15-13(18-3)5-4-8-17-15/h4-9,14H,16H2,1-3H3
InChIKeyQCAJEHKWPRJCBN-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.76
Rot. Bonds3

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

(2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine (PubChem CID 114054595) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine
PubChem CID114054595
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine
SMILESCOc1cccnc1C(N)c1cc(C)ccc1C
InChIInChI=1S/C15H18N2O/c1-10-6-7-11(2)12(9-10)14(16)15-13(18-3)5-4-8-17-15/h4-9,14H,16H2,1-3H3
InChIKeyQCAJEHKWPRJCBN-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

(3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054024
(2,4-dimethoxyphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 62801966
(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054772
(1,5-dimethylpyrazol-3-yl)-(3-methoxy-2-pyridinyl)methanamine
CID 114220495
(4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114053803
(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
CID 130691803
(2,5-dimethylphenyl)-quinolin-7-ylmethanamine
CID 105021483
(2,5-dimethylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 63840951
(2,5-dimethylphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 113230061
(2,4-dimethylphenyl)-(2-methoxy-3-pyridinyl)methanamine
CID 115605058
(2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025888
(2,6-dimethoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626072

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine?
The IUPAC name of (2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine (CID 114054595) is (2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine.
What is the SMILES notation for (2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine?
The canonical SMILES for (2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine is COc1cccnc1C(N)c1cc(C)ccc1C.
What is the InChIKey of (2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine?
The InChIKey is QCAJEHKWPRJCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-6-7-11(2)12(9-10)14(16)15-13(18-3)5-4-8-17-15/h4-9,14H,16H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine?
(2,5-dimethylphenyl)-(3-methoxy-2-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)-(3-methoxy-2-pyridinyl)methanamine is sourced from PubChem (CID 114054595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).