4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine

C13H19Cl2NO — CID 65302872

IUPAC4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-17-9-8-16-7-3-2-4-11-10-12(14)5-6-13(11)15/h5-6,10,16H,2-4,7-9H2,1H3
InChIKeyWQYQLLKNAKIVDG-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.55
Rot. Bonds8

About 4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine

4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 65302872) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine
PubChem CID65302872
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-17-9-8-16-7-3-2-4-11-10-12(14)5-6-13(11)15/h5-6,10,16H,2-4,7-9H2,1H3
InChIKeyWQYQLLKNAKIVDG-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

4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 113319723
4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65305744
N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
CID 113436854
4-(4-chloro-2,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302883
5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine
CID 79593271
N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine
CID 64504930
3-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 2581979
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine
CID 62566151
3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 60683339
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
4-(4-bromo-2,5-difluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65303585
6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
CID 104544671

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine (CID 65302872) is 4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine is COCCNCCCCc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is WQYQLLKNAKIVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-17-9-8-16-7-3-2-4-11-10-12(14)5-6-13(11)15/h5-6,10,16H,2-4,7-9H2,1H3.
What are the key properties of 4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine?
4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-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 4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 65302872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).