N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine

C15H16Cl2N2 — CID 105006477

IUPACN-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cnccc1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-3-19-15(13-9-18-7-6-10(13)2)12-5-4-11(16)8-14(12)17/h4-9,15,19H,3H2,1-2H3
InChIKeyWESYUTJGGQGELE-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.40
Rot. Bonds4

About N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine

N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 105006477) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID105006477
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC NameN-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cnccc1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-3-19-15(13-9-18-7-6-10(13)2)12-5-4-11(16)8-14(12)17/h4-9,15,19H,3H2,1-2H3
InChIKeyWESYUTJGGQGELE-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 105006456
N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487938
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248
N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038084
N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 54980096
N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 103433974
N-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
N-[(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493036
N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 114330731
N-[(3,5-difluorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 66272491
N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine
CID 82870807
N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 43489635

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine (CID 105006477) is N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1cnccc1C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is WESYUTJGGQGELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-3-19-15(13-9-18-7-6-10(13)2)12-5-4-11(16)8-14(12)17/h4-9,15,19H,3H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 295.21 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105006477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).