2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline

C14H13Cl3N2O — CID 82893270

IUPAC2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(C)nc(CNc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C14H13Cl3N2O/c1-8-3-10(20-2)4-9(19-8)7-18-14-6-12(16)11(15)5-13(14)17/h3-6,18H,7H2,1-2H3
InChIKeyXCIOMXGIEVGTFU-UHFFFAOYSA-N
MW331.63 g/mol
LogP4.97
Rot. Bonds4

About 2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline

2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline (PubChem CID 82893270) has the molecular formula C14H13Cl3N2O and a molecular weight of 331.63 g/mol. Its IUPAC name is 2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
PubChem CID82893270
Molecular FormulaC14H13Cl3N2O
Molecular Weight331.63 g/mol
Exact Mass330.01
IUPAC Name2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(C)nc(CNc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C14H13Cl3N2O/c1-8-3-10(20-2)4-9(19-8)7-18-14-6-12(16)11(15)5-13(14)17/h3-6,18H,7H2,1-2H3
InChIKeyXCIOMXGIEVGTFU-UHFFFAOYSA-N
XLogP4.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.63
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 107606547
3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
CID 82893507
2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82887682
2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
CID 103585743
2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893200
2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892845
2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 83081751
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 82893513
2,4-dibromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 103413115
2-(1-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82895611
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
2-(methoxymethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892911

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline (CID 82893270) is 2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline is COc1cc(C)nc(CNc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is XCIOMXGIEVGTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2O/c1-8-3-10(20-2)4-9(19-8)7-18-14-6-12(16)11(15)5-13(14)17/h3-6,18H,7H2,1-2H3.
What are the key properties of 2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 331.63 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 82893270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).