2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride

C15H20Cl2N2O — CID 163340695

IUPAC2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride
SMILESCOc1c(-c2ccc(CCN)cc2)ccnc1C.Cl.Cl
InChIInChI=1S/C15H18N2O.2ClH/c1-11-15(18-2)14(8-10-17-11)13-5-3-12(4-6-13)7-9-16;;/h3-6,8,10H,7,9,16H2,1-2H3;2*1H
InChIKeyBLPSQQLAFLMWTA-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.41
Rot. Bonds4

About 2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride

2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride (PubChem CID 163340695) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride
PubChem CID163340695
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride
SMILESCOc1c(-c2ccc(CCN)cc2)ccnc1C.Cl.Cl
InChIInChI=1S/C15H18N2O.2ClH/c1-11-15(18-2)14(8-10-17-11)13-5-3-12(4-6-13)7-9-16;;/h3-6,8,10H,7,9,16H2,1-2H3;2*1H
InChIKeyBLPSQQLAFLMWTA-UHFFFAOYSA-N
XLogP3.41
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride?
The IUPAC name of 2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride (CID 163340695) is 2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride?
The canonical SMILES for 2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride is COc1c(-c2ccc(CCN)cc2)ccnc1C.Cl.Cl.
What is the InChIKey of 2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride?
The InChIKey is BLPSQQLAFLMWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.2ClH/c1-11-15(18-2)14(8-10-17-11)13-5-3-12(4-6-13)7-9-16;;/h3-6,8,10H,7,9,16H2,1-2H3;2*1H.
What are the key properties of 2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride?
2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride has a molecular weight of 315.24 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride is sourced from PubChem (CID 163340695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).