1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine

C13H20ClNO3 — CID 79575404

IUPAC1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine
SMILESCCOCC(NC)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C13H20ClNO3/c1-5-18-8-11(15-2)9-6-10(14)13(17-4)12(7-9)16-3/h6-7,11,15H,5,8H2,1-4H3
InChIKeyKDIVHWHEXZWKQS-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.65
Rot. Bonds7

About 1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine

1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine (PubChem CID 79575404) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine
PubChem CID79575404
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Name1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine
SMILESCCOCC(NC)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C13H20ClNO3/c1-5-18-8-11(15-2)9-6-10(14)13(17-4)12(7-9)16-3/h6-7,11,15H,5,8H2,1-4H3
InChIKeyKDIVHWHEXZWKQS-UHFFFAOYSA-N
XLogP2.65
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine
CID 82923305
1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine
CID 64906585
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 60956072
2-ethoxy-N-methyl-1-(2,3,4-trimethoxyphenyl)ethanamine
CID 105008034
1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine
CID 105204626
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
CID 62601956
3-ethyl-N-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 105028365
1-(3-chloro-4,5-dimethoxyphenyl)-N-propylhexan-1-amine
CID 63417042
[1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105204631
1-(3-chloro-4,5-dimethoxyphenyl)-N-propylbut-3-en-1-amine
CID 61380659
1-(3-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 79179774
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine
CID 104804947

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine (CID 79575404) is 1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine is CCOCC(NC)c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of 1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine?
The InChIKey is KDIVHWHEXZWKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3/c1-5-18-8-11(15-2)9-6-10(14)13(17-4)12(7-9)16-3/h6-7,11,15H,5,8H2,1-4H3.
What are the key properties of 1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine?
1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine has a molecular weight of 273.76 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine is sourced from PubChem (CID 79575404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).