N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine

C13H11Cl3N2O — CID 62297762

IUPACN-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine
SMILESCNCc1cccnc1Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2O/c1-17-7-8-3-2-4-18-13(8)19-12-6-10(15)9(14)5-11(12)16/h2-6,17H,7H2,1H3
InChIKeyRKHAAVBKBJQNCS-UHFFFAOYSA-N
MW317.60 g/mol
LogP4.55
Rot. Bonds4

About N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine

N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine (PubChem CID 62297762) has the molecular formula C13H11Cl3N2O and a molecular weight of 317.60 g/mol. Its IUPAC name is N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine
PubChem CID62297762
Molecular FormulaC13H11Cl3N2O
Molecular Weight317.60 g/mol
Exact Mass315.99
IUPAC NameN-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine
SMILESCNCc1cccnc1Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2O/c1-17-7-8-3-2-4-18-13(8)19-12-6-10(15)9(14)5-11(12)16/h2-6,17H,7H2,1H3
InChIKeyRKHAAVBKBJQNCS-UHFFFAOYSA-N
XLogP4.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 54.55
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

1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 116689944
N-methyl-1-(2-phenoxy-3-pyridinyl)methanamine
CID 53185088
N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323935
N-[[2-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107660753
1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62296357
N-methyl-1-(2-quinolin-8-yloxy-3-pyridinyl)methanamine
CID 62322209
N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
CID 62292620
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine
CID 62292560
N,N-dimethyl-2-[[3-(methylaminomethyl)-2-pyridinyl]oxy]ethanamine
CID 62296479
1-[2-(2-butan-2-ylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62322019
3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine
CID 61268068

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine (CID 62297762) is N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine is CNCc1cccnc1Oc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine?
The InChIKey is RKHAAVBKBJQNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O/c1-17-7-8-3-2-4-18-13(8)19-12-6-10(15)9(14)5-11(12)16/h2-6,17H,7H2,1H3.
What are the key properties of N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine?
N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine has a molecular weight of 317.60 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 62297762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).