1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine

C14H15Cl2NO2 — CID 55077983

IUPAC1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2cc(Cl)ccc2Cl)c(C)o1
InChIInChI=1S/C14H15Cl2NO2/c1-9-10(5-12(19-9)7-17-2)8-18-14-6-11(15)3-4-13(14)16/h3-6,17H,7-8H2,1-2H3
InChIKeyWOAQJTOARKNJQK-UHFFFAOYSA-N
MW300.19 g/mol
LogP4.19
Rot. Bonds5

About 1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine

1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine (PubChem CID 55077983) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is 1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
PubChem CID55077983
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC Name1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2cc(Cl)ccc2Cl)c(C)o1
InChIInChI=1S/C14H15Cl2NO2/c1-9-10(5-12(19-9)7-17-2)8-18-14-6-11(15)3-4-13(14)16/h3-6,17H,7-8H2,1-2H3
InChIKeyWOAQJTOARKNJQK-UHFFFAOYSA-N
XLogP4.19
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 107661115
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62450215
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 63496240
1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62454585
1-[5-[(2,5-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55077884
N-[[4-[(4-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62453033
N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine
CID 55246356
1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55076714
1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62486591
1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene
CID 78906184
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65318694
N-[[4-[(2,3-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 63490951

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine (CID 55077983) is 1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine is CNCc1cc(COc2cc(Cl)ccc2Cl)c(C)o1.
What is the InChIKey of 1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
The InChIKey is WOAQJTOARKNJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c1-9-10(5-12(19-9)7-17-2)8-18-14-6-11(15)3-4-13(14)16/h3-6,17H,7-8H2,1-2H3.
What are the key properties of 1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine has a molecular weight of 300.19 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 55077983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).