N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine

C16H18Cl2N2 — CID 82729644

IUPACN-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1Cl)c1ncccc1CC
InChIInChI=1S/C16H18Cl2N2/c1-3-11-7-6-10-20-15(11)16(19-4-2)12-8-5-9-13(17)14(12)18/h5-10,16,19H,3-4H2,1-2H3
InChIKeyJLTBDYVNOFVAHQ-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.65
Rot. Bonds5

About N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine

N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine (PubChem CID 82729644) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
PubChem CID82729644
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC NameN-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1Cl)c1ncccc1CC
InChIInChI=1S/C16H18Cl2N2/c1-3-11-7-6-10-20-15(11)16(19-4-2)12-8-5-9-13(17)14(12)18/h5-10,16,19H,3-4H2,1-2H3
InChIKeyJLTBDYVNOFVAHQ-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82732767
N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine
CID 103444391
N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854889
N-[(3-ethyl-2-pyridinyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 82729895
N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 107560643
N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755221
N-[(3-ethyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 82732775
N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82732783
N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]ethanamine
CID 82731223
N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63412201
N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 103444649

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine (CID 82729644) is N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1Cl)c1ncccc1CC.
What is the InChIKey of N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is JLTBDYVNOFVAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-3-11-7-6-10-20-15(11)16(19-4-2)12-8-5-9-13(17)14(12)18/h5-10,16,19H,3-4H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine?
N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 309.24 g/mol, XLogP of 4.65, 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)-(3-ethyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 82729644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).