N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine

C15H16Cl2N2 — CID 62791362

IUPACN-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2/c1-2-8-19-15(11-5-4-9-18-10-11)12-6-3-7-13(16)14(12)17/h3-7,9-10,15,19H,2,8H2,1H3
InChIKeyUHSMNQBZASXNCJ-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.48
Rot. Bonds5

About N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine

N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine (PubChem CID 62791362) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine
PubChem CID62791362
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC NameN-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2/c1-2-8-19-15(11-5-4-9-18-10-11)12-6-3-7-13(16)14(12)17/h3-7,9-10,15,19H,2,8H2,1H3
InChIKeyUHSMNQBZASXNCJ-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 115827211
N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62790171
N-[(3-chloro-4-pyridinyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141874
N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81209832
N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63990259
N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine
CID 105098192
1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105141906
N-[(2,3-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 115851242
N-[(2,3-dichlorophenyl)-pyrimidin-4-ylmethyl]propan-1-amine
CID 63987505
N-[(5-bromothiophen-3-yl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141905
N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43494512
N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43495177

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine (CID 62791362) is N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine is CCCNC(c1cccnc1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine?
The InChIKey is UHSMNQBZASXNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-2-8-19-15(11-5-4-9-18-10-11)12-6-3-7-13(16)14(12)17/h3-7,9-10,15,19H,2,8H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine?
N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine has a molecular weight of 295.21 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 62791362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).