1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine

C16H18Cl2N2 — CID 62996327

IUPAC1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(C)nc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-3-16(14-7-6-13(17)8-15(14)18)20-10-12-5-4-11(2)19-9-12/h4-9,16,20H,3,10H2,1-2H3
InChIKeyBWAYUTCMPHSUOJ-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.94
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine

1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 62996327) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID62996327
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(C)nc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-3-16(14-7-6-13(17)8-15(14)18)20-10-12-5-4-11(2)19-9-12/h4-9,16,20H,3,10H2,1-2H3
InChIKeyBWAYUTCMPHSUOJ-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43503353
1-(3,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 62996155
1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63279983
1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55139743
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
(2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol
CID 104980540
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 103777778
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 43080562
1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
CID 62040459
N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine
CID 113450027

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine (CID 62996327) is 1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine is CCC(NCc1ccc(C)nc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is BWAYUTCMPHSUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-3-16(14-7-6-13(17)8-15(14)18)20-10-12-5-4-11(2)19-9-12/h4-9,16,20H,3,10H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine?
1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 309.24 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 62996327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).