1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine

C15H16Cl2N2O — CID 103777325

IUPAC1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ncccc1CNC(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-10(12-6-3-7-13(16)14(12)17)19-9-11-5-4-8-18-15(11)20-2/h3-8,10,19H,9H2,1-2H3
InChIKeyPSSMKEQNPLUNJF-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.25
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine

1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 103777325) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID103777325
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ncccc1CNC(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-10(12-6-3-7-13(16)14(12)17)19-9-11-5-4-8-18-15(11)20-2/h3-8,10,19H,9H2,1-2H3
InChIKeyPSSMKEQNPLUNJF-UHFFFAOYSA-N
XLogP4.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 60859643
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 81408582
(1R)-1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81364970
1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 107094366
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 60858838
2-N-[(2-methoxy-3-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939229
1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 103777778
1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 83118259
1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 70118034

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine (CID 103777325) is 1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine is COc1ncccc1CNC(C)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is PSSMKEQNPLUNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-10(12-6-3-7-13(16)14(12)17)19-9-11-5-4-8-18-15(11)20-2/h3-8,10,19H,9H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine?
1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 311.21 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 103777325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).