1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine

C12H17Cl2NO — CID 82262530

IUPAC1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCNC(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-9(15-5-6-16-2)7-10-3-4-11(13)8-12(10)14/h3-4,8-9,15H,5-7H2,1-2H3
InChIKeyDDHPUQFHIPTHSO-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.16
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine

1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine (PubChem CID 82262530) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine
PubChem CID82262530
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCNC(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-9(15-5-6-16-2)7-10-3-4-11(13)8-12(10)14/h3-4,8-9,15H,5-7H2,1-2H3
InChIKeyDDHPUQFHIPTHSO-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.16
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

5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
CID 65303796
[1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105200199
N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine
CID 103910375
1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 55228646
1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103084978
1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine
CID 55088685
N-[(4-chloro-2-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 104854106
N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
CID 113436854
1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
CID 114850641
[1-(2,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105199055
1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116719918
N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
CID 60619061

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine (CID 82262530) is 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine is COCCNC(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine?
The InChIKey is DDHPUQFHIPTHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-9(15-5-6-16-2)7-10-3-4-11(13)8-12(10)14/h3-4,8-9,15H,5-7H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine?
1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine has a molecular weight of 262.18 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 82262530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).