(2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine

C13H12Cl2N2O — CID 105065497

IUPAC(2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine
SMILESCOc1cnccc1C(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O/c1-18-11-7-17-6-5-8(11)13(16)9-3-2-4-10(14)12(9)15/h2-7,13H,16H2,1H3
InChIKeyCDZJYKGRMVUVLE-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.45
Rot. Bonds3

About (2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine

(2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine (PubChem CID 105065497) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine
PubChem CID105065497
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name(2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine
SMILESCOc1cnccc1C(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O/c1-18-11-7-17-6-5-8(11)13(16)9-3-2-4-10(14)12(9)15/h2-7,13H,16H2,1H3
InChIKeyCDZJYKGRMVUVLE-UHFFFAOYSA-N
XLogP3.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853206
(2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047303
(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709770
(3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine
CID 105065336
furan-2-yl-(3-methoxy-4-pyridinyl)methanamine
CID 105065582
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066069
(3-cyclopropyloxyphenyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066137
[(2,3-dichlorophenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105191174
(3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105179062
1-(3-methoxy-4-pyridinyl)propan-1-amine
CID 105065142
[(3-chloro-4-pyridinyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105285750
[(4-chlorophenyl)-(3-methoxy-4-pyridinyl)methyl]hydrazine
CID 105281225

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine?
The IUPAC name of (2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine (CID 105065497) is (2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine?
The canonical SMILES for (2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine is COc1cnccc1C(N)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine?
The InChIKey is CDZJYKGRMVUVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-18-11-7-17-6-5-8(11)13(16)9-3-2-4-10(14)12(9)15/h2-7,13H,16H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine?
(2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine has a molecular weight of 283.16 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine is sourced from PubChem (CID 105065497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).