1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine

C15H17Cl2NO2 — CID 114820407

IUPAC1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
SMILESCCOc1cc(Cl)c(C(NC)c2coc(C)c2)cc1Cl
InChIInChI=1S/C15H17Cl2NO2/c1-4-19-14-7-12(16)11(6-13(14)17)15(18-3)10-5-9(2)20-8-10/h5-8,15,18H,4H2,1-3H3
InChIKeyAVHZOKVEXDYMIS-UHFFFAOYSA-N
MW314.21 g/mol
LogP4.60
Rot. Bonds5

About 1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine

1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine (PubChem CID 114820407) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
PubChem CID114820407
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
SMILESCCOc1cc(Cl)c(C(NC)c2coc(C)c2)cc1Cl
InChIInChI=1S/C15H17Cl2NO2/c1-4-19-14-7-12(16)11(6-13(14)17)15(18-3)10-5-9(2)20-8-10/h5-8,15,18H,4H2,1-3H3
InChIKeyAVHZOKVEXDYMIS-UHFFFAOYSA-N
XLogP4.60
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115853566
(2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol
CID 114822297
N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine
CID 105035753
N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine
CID 115853275
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114820181
1-(2,4-dimethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114819922
N-methyl-1-(5-methylfuran-3-yl)-1-phenylmethanamine
CID 114819899
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104657492
1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine
CID 112513504
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 103435167
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114820351

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine (CID 114820407) is 1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine is CCOc1cc(Cl)c(C(NC)c2coc(C)c2)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The InChIKey is AVHZOKVEXDYMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c1-4-19-14-7-12(16)11(6-13(14)17)15(18-3)10-5-9(2)20-8-10/h5-8,15,18H,4H2,1-3H3.
What are the key properties of 1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine has a molecular weight of 314.21 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine is sourced from PubChem (CID 114820407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).