2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine

C15H18ClNO2 — CID 115844818

IUPAC2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
SMILESCNC(Cc1cc(Cl)ccc1OC)c1ccc(C)o1
InChIInChI=1S/C15H18ClNO2/c1-10-4-6-15(19-10)13(17-2)9-11-8-12(16)5-7-14(11)18-3/h4-8,13,17H,9H2,1-3H3
InChIKeyCOSJZBLELXLXQC-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.75
Rot. Bonds5

About 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine

2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 115844818) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
PubChem CID115844818
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
SMILESCNC(Cc1cc(Cl)ccc1OC)c1ccc(C)o1
InChIInChI=1S/C15H18ClNO2/c1-10-4-6-15(19-10)13(17-2)9-11-8-12(16)5-7-14(11)18-3/h4-8,13,17H,9H2,1-3H3
InChIKeyCOSJZBLELXLXQC-UHFFFAOYSA-N
XLogP3.75
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-chloro-2-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105297601
1-(5-chlorofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 106691825
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 105035412
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62600240
[1-(5-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethyl]hydrazine
CID 105297642
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755143
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105137291
1-(3-bromo-5-chlorophenyl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 107945511
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 62505102
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115845077
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55071098
2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 63414513

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine (CID 115844818) is 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine is CNC(Cc1cc(Cl)ccc1OC)c1ccc(C)o1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is COSJZBLELXLXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-10-4-6-15(19-10)13(17-2)9-11-8-12(16)5-7-14(11)18-3/h4-8,13,17H,9H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine?
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 279.77 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 115844818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).