[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine

C12H11Cl2NO2 — CID 62485761

IUPAC[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine
SMILESNCc1ccc(COc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C12H11Cl2NO2/c13-11-4-3-8(5-12(11)14)16-7-10-2-1-9(6-15)17-10/h1-5H,6-7,15H2
InChIKeyZCHRCRBAFQOKRD-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.62
Rot. Bonds4

About [5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine

[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine (PubChem CID 62485761) has the molecular formula C12H11Cl2NO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is [5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine
PubChem CID62485761
Molecular FormulaC12H11Cl2NO2
Molecular Weight272.13 g/mol
Exact Mass271.02
IUPAC Name[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine
SMILESNCc1ccc(COc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C12H11Cl2NO2/c13-11-4-3-8(5-12(11)14)16-7-10-2-1-9(6-15)17-10/h1-5H,6-7,15H2
InChIKeyZCHRCRBAFQOKRD-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-yl]methanamine
CID 62452227
N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63496490
[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanamine
CID 62454470
[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methanamine
CID 83135141
[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62459720
[5-[(6-methyl-3-pyridinyl)oxymethyl]furan-2-yl]methanamine
CID 62442016
[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 62454908
5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63575726
[5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 63877646
2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
5-[(3,4-dichlorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620839
3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine
CID 82089694

Frequently Asked Questions

What is the IUPAC name of [5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine (CID 62485761) is [5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine is NCc1ccc(COc2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of [5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is ZCHRCRBAFQOKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2/c13-11-4-3-8(5-12(11)14)16-7-10-2-1-9(6-15)17-10/h1-5H,6-7,15H2.
What are the key properties of [5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine?
[5-[(3,4-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-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62485761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).