N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine

C15H16Cl2N2 — CID 62790171

IUPACN-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2/c1-2-8-19-15(11-6-9-18-10-7-11)12-4-3-5-13(16)14(12)17/h3-7,9-10,15,19H,2,8H2,1H3
InChIKeyDIRMTJLODGLAHB-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.48
Rot. Bonds5

About N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine

N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine (PubChem CID 62790171) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
PubChem CID62790171
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC NameN-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2/c1-2-8-19-15(11-6-9-18-10-7-11)12-4-3-5-13(16)14(12)17/h3-7,9-10,15,19H,2,8H2,1H3
InChIKeyDIRMTJLODGLAHB-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)-pyridin-3-ylmethyl]propan-1-amine
CID 62791362
N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 115827211
N-[(3-chloro-4-pyridinyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141874
N-[(2,3-dichlorophenyl)-pyrimidin-4-ylmethyl]propan-1-amine
CID 63987505
N-[naphthalen-1-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62790694
N-[(2,3-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 115851242
N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62802224
N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62814161
N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851464
N-[(2-chloro-3-fluorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851234
N-[(5-bromothiophen-3-yl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141905
N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107097272

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine (CID 62790171) is N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine is CCCNC(c1ccncc1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine?
The InChIKey is DIRMTJLODGLAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-2-8-19-15(11-6-9-18-10-7-11)12-4-3-5-13(16)14(12)17/h3-7,9-10,15,19H,2,8H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine?
N-[(2,3-dichlorophenyl)-pyridin-4-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-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 62790171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).