1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine

C15H18ClNO3 — CID 43486324

IUPAC1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
SMILESCNC(c1cc(OC)c(OC)cc1Cl)c1occc1C
InChIInChI=1S/C15H18ClNO3/c1-9-5-6-20-15(9)14(17-2)10-7-12(18-3)13(19-4)8-11(10)16/h5-8,14,17H,1-4H3
InChIKeyOBRODVISVIFEEU-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.57
Rot. Bonds5

About 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine

1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine (PubChem CID 43486324) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
PubChem CID43486324
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
SMILESCNC(c1cc(OC)c(OC)cc1Cl)c1occc1C
InChIInChI=1S/C15H18ClNO3/c1-9-5-6-20-15(9)14(17-2)10-7-12(18-3)13(19-4)8-11(10)16/h5-8,14,17H,1-4H3
InChIKeyOBRODVISVIFEEU-UHFFFAOYSA-N
XLogP3.57
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 115483955
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43486373
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104805121
1-(2-chloro-4,5-dimethoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43486364
N-[(2-chloro-4,5-dimethylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 115484217
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43480129
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113319429
1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 113455239
1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine
CID 43486339
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43486329
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104545900
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104657492

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine (CID 43486324) is 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine is CNC(c1cc(OC)c(OC)cc1Cl)c1occc1C.
What is the InChIKey of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The InChIKey is OBRODVISVIFEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-9-5-6-20-15(9)14(17-2)10-7-12(18-3)13(19-4)8-11(10)16/h5-8,14,17H,1-4H3.
What are the key properties of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine has a molecular weight of 295.77 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 43486324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).