2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine

C11H15Cl2NO — CID 65303071

IUPAC2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine
SMILESCNCCOCCc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-14-5-7-15-6-4-9-8-10(12)2-3-11(9)13/h2-3,8,14H,4-7H2,1H3
InChIKeyHFWMYWCHCYREHX-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.77
Rot. Bonds6

About 2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine

2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine (PubChem CID 65303071) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine
PubChem CID65303071
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine
SMILESCNCCOCCc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-14-5-7-15-6-4-9-8-10(12)2-3-11(9)13/h2-3,8,14H,4-7H2,1H3
InChIKeyHFWMYWCHCYREHX-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine
CID 65302814
N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 65316391
4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302872
2-(5-chloro-2-propoxyphenyl)-N-methylethanamine
CID 82550114
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128
N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405304
azane;1,4-dichloro-2-(chloromethyl)benzene
CID 174958411
1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine
CID 102928141
2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561306
N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine
CID 64504930

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine?
The IUPAC name of 2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine (CID 65303071) is 2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine.
What is the SMILES notation for 2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine?
The canonical SMILES for 2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine is CNCCOCCc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine?
The InChIKey is HFWMYWCHCYREHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-14-5-7-15-6-4-9-8-10(12)2-3-11(9)13/h2-3,8,14H,4-7H2,1H3.
What are the key properties of 2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine?
2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine has a molecular weight of 248.15 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine is sourced from PubChem (CID 65303071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).