1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

C16H18Cl2N2 — CID 79780803

IUPAC1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-10(2)11-4-6-12(7-5-11)15(19-3)16-14(18)8-13(17)9-20-16/h4-10,15,19H,1-3H3
InChIKeyVFFLBIXHCMAXPD-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.82
Rot. Bonds4

About 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 79780803) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
PubChem CID79780803
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-10(2)11-4-6-12(7-5-11)15(19-3)16-14(18)8-13(17)9-20-16/h4-10,15,19H,1-3H3
InChIKeyVFFLBIXHCMAXPD-UHFFFAOYSA-N
XLogP4.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (CID 79780803) is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is CNC(c1ccc(C(C)C)cc1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is VFFLBIXHCMAXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-10(2)11-4-6-12(7-5-11)15(19-3)16-14(18)8-13(17)9-20-16/h4-10,15,19H,1-3H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 309.24 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 79780803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).