N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine

C13H19Cl2NO — CID 113436854

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
SMILESCOCCCCNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-17-9-3-2-7-16-8-6-11-4-5-12(14)10-13(11)15/h4-5,10,16H,2-3,6-9H2,1H3
InChIKeyJFDMYYKBZOTRKU-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.55
Rot. Bonds8

About N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine

N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine (PubChem CID 113436854) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
PubChem CID113436854
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
SMILESCOCCCCNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-17-9-3-2-7-16-8-6-11-4-5-12(14)10-13(11)15/h4-5,10,16H,2-3,6-9H2,1H3
InChIKeyJFDMYYKBZOTRKU-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.55
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

3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine
CID 60689892
4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302872
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
CID 65303796
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid
CID 43377886
N'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54806172
N-[(2-chloro-4-fluorophenyl)methyl]-5-methoxypentan-1-amine
CID 103792840
1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972921
2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807626
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine (CID 113436854) is N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine is COCCCCNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine?
The InChIKey is JFDMYYKBZOTRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-17-9-3-2-7-16-8-6-11-4-5-12(14)10-13(11)15/h4-5,10,16H,2-3,6-9H2,1H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine has a molecular weight of 276.21 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine is sourced from PubChem (CID 113436854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).