2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine

C15H24ClNO3 — CID 65302814

IUPAC2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine
SMILESCCOc1cc(Cl)c(CCOCCNC)cc1OCC
InChIInChI=1S/C15H24ClNO3/c1-4-19-14-10-12(6-8-18-9-7-17-3)13(16)11-15(14)20-5-2/h10-11,17H,4-9H2,1-3H3
InChIKeyGYDKHOICSBTXKY-UHFFFAOYSA-N
MW301.81 g/mol
LogP2.92
Rot. Bonds10

About 2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine

2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine (PubChem CID 65302814) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine
PubChem CID65302814
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine
SMILESCCOc1cc(Cl)c(CCOCCNC)cc1OCC
InChIInChI=1S/C15H24ClNO3/c1-4-19-14-10-12(6-8-18-9-7-17-3)13(16)11-15(14)20-5-2/h10-11,17H,4-9H2,1-3H3
InChIKeyGYDKHOICSBTXKY-UHFFFAOYSA-N
XLogP2.92
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine
CID 107477800
2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine
CID 65303071
2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol
CID 66532424
N-[2-[2-(2-chloro-4,5-dimethoxyphenyl)ethoxy]ethyl]-2-methoxyethanamine
CID 65303519
2-[2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 66532270
N-[(2-chloro-4,5-diethoxyphenyl)methyl]-3-ethoxypropan-1-amine
CID 66532498
1-but-3-enyl-2-chloro-4,5-diethoxybenzene
CID 83943749
N'-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 66538110
2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine
CID 65304742
1-(2-chloro-4,5-diethoxyphenyl)hexane-3,4-diol
CID 83943792
3-butoxy-N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-1-amine
CID 66530665
2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
CID 83895894

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine?
The IUPAC name of 2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine (CID 65302814) is 2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine.
What is the SMILES notation for 2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine?
The canonical SMILES for 2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine is CCOc1cc(Cl)c(CCOCCNC)cc1OCC.
What is the InChIKey of 2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine?
The InChIKey is GYDKHOICSBTXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-4-19-14-10-12(6-8-18-9-7-17-3)13(16)11-15(14)20-5-2/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine?
2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine has a molecular weight of 301.81 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine is sourced from PubChem (CID 65302814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).