N-[(2,4-dichlorophenyl)methyl]-2-methoxyethanamine;hydrochloride

C10H14Cl3NO — CID 6460284

IUPACN-[(2,4-dichlorophenyl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCOCCNCc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C10H13Cl2NO.ClH/c1-14-5-4-13-7-8-2-3-9(11)6-10(8)12;/h2-3,6,13H,4-5,7H2,1H3;1H
InChIKeyHATTWQQJTWYWMZ-UHFFFAOYSA-N
MW270.59 g/mol
LogP3.15
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-2-methoxyethanamine;hydrochloride

N-[(2,4-dichlorophenyl)methyl]-2-methoxyethanamine;hydrochloride (PubChem CID 6460284) has the molecular formula C10H14Cl3NO and a molecular weight of 270.59 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-methoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-methoxyethanamine;hydrochloride
PubChem CID6460284
Molecular FormulaC10H14Cl3NO
Molecular Weight270.59 g/mol
Exact Mass269.01
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCOCCNCc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C10H13Cl2NO.ClH/c1-14-5-4-13-7-8-2-3-9(11)6-10(8)12;/h2-3,6,13H,4-5,7H2,1H3;1H
InChIKeyHATTWQQJTWYWMZ-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.59
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methoxyethanamine;hydrochloride?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methoxyethanamine;hydrochloride (CID 6460284) is N-[(2,4-dichlorophenyl)methyl]-2-methoxyethanamine;hydrochloride.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-methoxyethanamine;hydrochloride?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-methoxyethanamine;hydrochloride is COCCNCc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-methoxyethanamine;hydrochloride?
The InChIKey is HATTWQQJTWYWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO.ClH/c1-14-5-4-13-7-8-2-3-9(11)6-10(8)12;/h2-3,6,13H,4-5,7H2,1H3;1H.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-methoxyethanamine;hydrochloride?
N-[(2,4-dichlorophenyl)methyl]-2-methoxyethanamine;hydrochloride has a molecular weight of 270.59 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-methoxyethanamine;hydrochloride is sourced from PubChem (CID 6460284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).