N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine

C13H12Cl3NO2 — CID 62572364

IUPACN-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
SMILESClc1cc(Cl)c(OCCNCc2ccco2)c(Cl)c1
InChIInChI=1S/C13H12Cl3NO2/c14-9-6-11(15)13(12(16)7-9)19-5-3-17-8-10-2-1-4-18-10/h1-2,4,6-7,17H,3,5,8H2
InChIKeyAFZZDRVYJMSOEY-UHFFFAOYSA-N
MW320.60 g/mol
LogP4.41
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine

N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine (PubChem CID 62572364) has the molecular formula C13H12Cl3NO2 and a molecular weight of 320.60 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
PubChem CID62572364
Molecular FormulaC13H12Cl3NO2
Molecular Weight320.60 g/mol
Exact Mass318.99
IUPAC NameN-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
SMILESClc1cc(Cl)c(OCCNCc2ccco2)c(Cl)c1
InChIInChI=1S/C13H12Cl3NO2/c14-9-6-11(15)13(12(16)7-9)19-5-3-17-8-10-2-1-4-18-10/h1-2,4,6-7,17H,3,5,8H2
InChIKeyAFZZDRVYJMSOEY-UHFFFAOYSA-N
XLogP4.41
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.60
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4,6-trichlorophenoxy)methyl]furan
CID 53443486
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 4723222
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trichlorophenoxy)ethanamine
CID 67892827
N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine
CID 2364287
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 17158546
2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 64853522
N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 62573014
4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine
CID 56689586
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 104708522
N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415533
N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 6457238

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine (CID 62572364) is N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine is Clc1cc(Cl)c(OCCNCc2ccco2)c(Cl)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine?
The InChIKey is AFZZDRVYJMSOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3NO2/c14-9-6-11(15)13(12(16)7-9)19-5-3-17-8-10-2-1-4-18-10/h1-2,4,6-7,17H,3,5,8H2.
What are the key properties of N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine?
N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine has a molecular weight of 320.60 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine is sourced from PubChem (CID 62572364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).