1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine

C13H13Cl2NO2 — CID 62485941

IUPAC1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2NO2/c1-16-7-13-9(4-5-17-13)8-18-10-2-3-11(14)12(15)6-10/h2-6,16H,7-8H2,1H3
InChIKeyBFVNKNBLZIFASL-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.88
Rot. Bonds5

About 1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine

1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine (PubChem CID 62485941) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is 1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
PubChem CID62485941
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2NO2/c1-16-7-13-9(4-5-17-13)8-18-10-2-3-11(14)12(15)6-10/h2-6,16H,7-8H2,1H3
InChIKeyBFVNKNBLZIFASL-UHFFFAOYSA-N
XLogP3.88
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine
CID 62459453
N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62486443
N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine
CID 63648415
[3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine
CID 55077923
1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62452690
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 55076853
N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine
CID 62457855
2-[(3,4-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 43419560
1-[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine
CID 65125404
1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55077971
1-[2-[(3,5-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62452698
1-[2-[(3-ethoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62441796

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine (CID 62485941) is 1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine is CNCc1occc1COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The InChIKey is BFVNKNBLZIFASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c1-16-7-13-9(4-5-17-13)8-18-10-2-3-11(14)12(15)6-10/h2-6,16H,7-8H2,1H3.
What are the key properties of 1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine?
1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine has a molecular weight of 286.16 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62485941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).