2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine

C15H16Cl2N2 — CID 117049081

IUPAC2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine
SMILESCC(CN)(Cc1ccncc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c1-15(10-18,9-11-2-4-19-5-3-11)12-6-13(16)8-14(17)7-12/h2-8H,9-10,18H2,1H3
InChIKeyJINRISQLSRKARK-UHFFFAOYSA-N
MW295.21 g/mol
LogP3.85
Rot. Bonds4

About 2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine

2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine (PubChem CID 117049081) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine
PubChem CID117049081
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine
SMILESCC(CN)(Cc1ccncc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c1-15(10-18,9-11-2-4-19-5-3-11)12-6-13(16)8-14(17)7-12/h2-8H,9-10,18H2,1H3
InChIKeyJINRISQLSRKARK-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine (CID 117049081) is 2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine is CC(CN)(Cc1ccncc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine?
The InChIKey is JINRISQLSRKARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-15(10-18,9-11-2-4-19-5-3-11)12-6-13(16)8-14(17)7-12/h2-8H,9-10,18H2,1H3.
What are the key properties of 2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine?
2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine has a molecular weight of 295.21 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 117049081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).