N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine

C15H15Cl3N2O — CID 43770470

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
SMILESCOc1ccc(CNC(C)c2ccc(Cl)c(Cl)c2Cl)cn1
InChIInChI=1S/C15H15Cl3N2O/c1-9(11-4-5-12(16)15(18)14(11)17)19-7-10-3-6-13(21-2)20-8-10/h3-6,8-9,19H,7H2,1-2H3
InChIKeyVWTROBCNPQYRGS-UHFFFAOYSA-N
MW345.66 g/mol
LogP4.90
Rot. Bonds5

About N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine

N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine (PubChem CID 43770470) has the molecular formula C15H15Cl3N2O and a molecular weight of 345.66 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
PubChem CID43770470
Molecular FormulaC15H15Cl3N2O
Molecular Weight345.66 g/mol
Exact Mass344.02
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
SMILESCOc1ccc(CNC(C)c2ccc(Cl)c(Cl)c2Cl)cn1
InChIInChI=1S/C15H15Cl3N2O/c1-9(11-4-5-12(16)15(18)14(11)17)19-7-10-3-6-13(21-2)20-8-10/h3-6,8-9,19H,7H2,1-2H3
InChIKeyVWTROBCNPQYRGS-UHFFFAOYSA-N
XLogP4.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.66
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 43206318
N-[(4-ethylphenyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 106899409
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 43770459
1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 103777778
N-[(6-methoxy-3-pyridinyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43206302
N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 43206290
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43206293
1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine
CID 115708547
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine
CID 28712310
1-(4-fluoro-3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991116

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine (CID 43770470) is N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine is COc1ccc(CNC(C)c2ccc(Cl)c(Cl)c2Cl)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine?
The InChIKey is VWTROBCNPQYRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N2O/c1-9(11-4-5-12(16)15(18)14(11)17)19-7-10-3-6-13(21-2)20-8-10/h3-6,8-9,19H,7H2,1-2H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine?
N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine has a molecular weight of 345.66 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine is sourced from PubChem (CID 43770470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).