1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine

C15H16Cl2N2 — CID 103777778

IUPAC1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C15H16Cl2N2/c1-10-6-7-12(8-18-10)9-19-11(2)13-4-3-5-14(16)15(13)17/h3-8,11,19H,9H2,1-2H3
InChIKeyXABHMXJQJOHKHI-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.55
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine

1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 103777778) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID103777778
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C15H16Cl2N2/c1-10-6-7-12(8-18-10)9-19-11(2)13-4-3-5-14(16)15(13)17/h3-8,11,19H,9H2,1-2H3
InChIKeyXABHMXJQJOHKHI-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55139743
1-(2-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62997398
1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
CID 22483298
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 70118034
1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 107094366
N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 43770470
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854889
1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103787028
1-(2,5-dimethoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62994899
1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 103777325

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine (CID 103777778) is 1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine is Cc1ccc(CNC(C)c2cccc(Cl)c2Cl)cn1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is XABHMXJQJOHKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-10-6-7-12(8-18-10)9-19-11(2)13-4-3-5-14(16)15(13)17/h3-8,11,19H,9H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 295.21 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 103777778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).