N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine

C17H20Cl2N2 — CID 105136518

IUPACN-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)c1cccnc1C
InChIInChI=1S/C17H20Cl2N2/c1-3-8-21-17(14-5-4-9-20-12(14)2)11-13-6-7-15(18)16(19)10-13/h4-7,9-10,17,21H,3,8,11H2,1-2H3
InChIKeyOEUPYKAPTKGOPG-UHFFFAOYSA-N
MW323.27 g/mol
LogP4.98
Rot. Bonds6

About N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine

N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 105136518) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID105136518
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC NameN-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)c1cccnc1C
InChIInChI=1S/C17H20Cl2N2/c1-3-8-21-17(14-5-4-9-20-12(14)2)11-13-6-7-15(18)16(19)10-13/h4-7,9-10,17,21H,3,8,11H2,1-2H3
InChIKeyOEUPYKAPTKGOPG-UHFFFAOYSA-N
XLogP4.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chloro-4-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103043214
N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105181736
N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103053112
N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
CID 63413061
N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine
CID 79808186
N-[2-(5-ethyl-2-pyridinyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105168926
N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105136520
N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821315
N-ethyl-2-(4-ethylphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105101754
N-[2-(3,4-dichlorophenyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 63528164
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105165101

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine (CID 105136518) is N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)c(Cl)c1)c1cccnc1C.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is OEUPYKAPTKGOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-3-8-21-17(14-5-4-9-20-12(14)2)11-13-6-7-15(18)16(19)10-13/h4-7,9-10,17,21H,3,8,11H2,1-2H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine?
N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine has a molecular weight of 323.27 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 105136518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).