2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine

C11H15Cl2NO — CID 62336671

IUPAC2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine
SMILESCCNCCOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-2-14-5-6-15-8-9-3-4-10(12)7-11(9)13/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyNTWUAISNXJRGOC-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.12
Rot. Bonds6

About 2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine

2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine (PubChem CID 62336671) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine
PubChem CID62336671
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine
SMILESCCNCCOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-2-14-5-6-15-8-9-3-4-10(12)7-11(9)13/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyNTWUAISNXJRGOC-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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

2,4-dichloro-1-(propoxymethyl)benzene
CID 527851
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2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 14821323
2,4-dichloro-1-(2-methylbutoxymethyl)benzene
CID 91723382
N-[2-[(2-chloro-4-nitrophenyl)methoxy]ethyl]propan-1-amine
CID 62337246
N-[(2,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55032016
4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide
CID 62335925
1-[(2,4-dichlorophenyl)methoxy]propan-2-amine
CID 82475739
2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120551639
2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155291
N'-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215530
N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine
CID 106864761

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine (CID 62336671) is 2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine is CCNCCOCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine?
The InChIKey is NTWUAISNXJRGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-2-14-5-6-15-8-9-3-4-10(12)7-11(9)13/h3-4,7,14H,2,5-6,8H2,1H3.
What are the key properties of 2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine?
2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine has a molecular weight of 248.15 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine is sourced from PubChem (CID 62336671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).