[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine

C12H11Cl2NO2 — CID 62452227

IUPAC[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine
SMILESNCc1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C12H11Cl2NO2/c13-8-1-4-11(14)12(5-8)16-7-10-3-2-9(6-15)17-10/h1-5H,6-7,15H2
InChIKeyVIGACGRDZRJINO-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.62
Rot. Bonds4

About [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine

[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine (PubChem CID 62452227) has the molecular formula C12H11Cl2NO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine
PubChem CID62452227
Molecular FormulaC12H11Cl2NO2
Molecular Weight272.13 g/mol
Exact Mass271.02
IUPAC Name[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine
SMILESNCc1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C12H11Cl2NO2/c13-8-1-4-11(14)12(5-8)16-7-10-3-2-9(6-15)17-10/h1-5H,6-7,15H2
InChIKeyVIGACGRDZRJINO-UHFFFAOYSA-N
XLogP3.62
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid
CID 725870
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine
CID 62485761
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669
N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3416642
5-[(2,5-dichlorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63575292
[4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
CID 63881091
1-[5-[(2,5-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55077884
[3-[(2,5-dichlorophenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62450219
5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1269599
(E)-3-[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 19551191
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62452413

Frequently Asked Questions

What is the IUPAC name of [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine (CID 62452227) is [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine is NCc1ccc(COc2cc(Cl)ccc2Cl)o1.
What is the InChIKey of [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is VIGACGRDZRJINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2/c13-8-1-4-11(14)12(5-8)16-7-10-3-2-9(6-15)17-10/h1-5H,6-7,15H2.
What are the key properties of [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine?
[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine has a molecular weight of 272.13 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62452227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).