2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine

C13H20ClNO2 — CID 115259026

IUPAC2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
SMILESCCOc1ccc(CCN(C)COC)cc1Cl
InChIInChI=1S/C13H20ClNO2/c1-4-17-13-6-5-11(9-12(13)14)7-8-15(2)10-16-3/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyAJDNXTKLJFFAPE-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.82
Rot. Bonds7

About 2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine

2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine (PubChem CID 115259026) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
PubChem CID115259026
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
SMILESCCOc1ccc(CCN(C)COC)cc1Cl
InChIInChI=1S/C13H20ClNO2/c1-4-17-13-6-5-11(9-12(13)14)7-8-15(2)10-16-3/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyAJDNXTKLJFFAPE-UHFFFAOYSA-N
XLogP2.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259024
3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866526
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]-1-methylurea
CID 115168646
N'-[(3-chloro-4-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784191
2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258974
N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 115258978
3-(3-chloro-4-ethoxyphenyl)propanoic acid
CID 82052851
N-(bromomethyl)-2-(3-chloro-4-ethoxyphenyl)ethanamine
CID 115262221
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115195519
2-(3-chloro-4-ethoxyphenyl)-N-methylacetohydrazide
CID 116844806
2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene
CID 171624959
5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline
CID 82256202

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine (CID 115259026) is 2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine is CCOc1ccc(CCN(C)COC)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine?
The InChIKey is AJDNXTKLJFFAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-4-17-13-6-5-11(9-12(13)14)7-8-15(2)10-16-3/h5-6,9H,4,7-8,10H2,1-3H3.
What are the key properties of 2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine?
2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine has a molecular weight of 257.76 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine is sourced from PubChem (CID 115259026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).