2-[(2,4-dichlorophenyl)methoxy]ethanamine

C9H11Cl2NO — CID 14821323

IUPAC2-[(2,4-dichlorophenyl)methoxy]ethanamine
SMILESNCCOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2NO/c10-8-2-1-7(9(11)5-8)6-13-4-3-12/h1-2,5H,3-4,6,12H2
InChIKeyMRFKDXYLAQBCGD-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.47
Rot. Bonds4

About 2-[(2,4-dichlorophenyl)methoxy]ethanamine

2-[(2,4-dichlorophenyl)methoxy]ethanamine (PubChem CID 14821323) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methoxy]ethanamine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methoxy]ethanamine
PubChem CID14821323
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name2-[(2,4-dichlorophenyl)methoxy]ethanamine
SMILESNCCOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2NO/c10-8-2-1-7(9(11)5-8)6-13-4-3-12/h1-2,5H,3-4,6,12H2
InChIKeyMRFKDXYLAQBCGD-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.47
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
2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine
CID 62343808
2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine
CID 62336671
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine
CID 82181081
1-[(2,4-dichlorophenyl)methoxy]propan-2-amine
CID 82475739
N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide
CID 75445405
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
2,4-dichloro-1-(2-methylbutoxymethyl)benzene
CID 91723382
4-(3-aminopropoxymethyl)-3-chlorobenzamide
CID 102668854
(2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 156596799
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
2-aminoethyl (2,4-dichlorophenyl)methylsulfanylformate;hydrochloride
CID 162663453

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]ethanamine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]ethanamine (CID 14821323) is 2-[(2,4-dichlorophenyl)methoxy]ethanamine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methoxy]ethanamine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methoxy]ethanamine is NCCOCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methoxy]ethanamine?
The InChIKey is MRFKDXYLAQBCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c10-8-2-1-7(9(11)5-8)6-13-4-3-12/h1-2,5H,3-4,6,12H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methoxy]ethanamine?
2-[(2,4-dichlorophenyl)methoxy]ethanamine has a molecular weight of 220.10 g/mol, XLogP of 2.47, 4 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]ethanamine is sourced from PubChem (CID 14821323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).