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

C16H18Cl2N2 — CID 62996155

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

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

1-(3,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 62996155) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID62996155
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name1-(3,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(C)nc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H18Cl2N2/c1-3-16(13-6-7-14(17)15(18)8-13)20-10-12-5-4-11(2)19-9-12/h4-9,16,20H,3,10H2,1-2H3
InChIKeyNWKDBPVYTRWNTN-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-[(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 62996327
1-(3,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 60872413
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 61284688
ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 143971638
1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206298
(2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol
CID 104980540
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913520
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
CID 60888195
1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55139743

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine (CID 62996155) is 1-(3,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine is CCC(NCc1ccc(C)nc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is NWKDBPVYTRWNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-3-16(13-6-7-14(17)15(18)8-13)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-(3,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine?
1-(3,4-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-(3,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 62996155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).