1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine

C13H19Cl2NO — CID 105151407

IUPAC1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine
SMILESCCOCCC(Cc1cc(Cl)ccc1Cl)NC
InChIInChI=1S/C13H19Cl2NO/c1-3-17-7-6-12(16-2)9-10-8-11(14)4-5-13(10)15/h4-5,8,12,16H,3,6-7,9H2,1-2H3
InChIKeyNVMOEQRGXFMXBS-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.55
Rot. Bonds7

About 1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine

1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine (PubChem CID 105151407) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine
PubChem CID105151407
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine
SMILESCCOCCC(Cc1cc(Cl)ccc1Cl)NC
InChIInChI=1S/C13H19Cl2NO/c1-3-17-7-6-12(16-2)9-10-8-11(14)4-5-13(10)15/h4-5,8,12,16H,3,6-7,9H2,1-2H3
InChIKeyNVMOEQRGXFMXBS-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine
CID 102928141
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
1-(4-chloro-2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
CID 105190384
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 105137424
1-(5-chloro-2-fluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148276
1-(2,4-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 103149314
1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine
CID 115601707
3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 79092426
1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65321733
1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine
CID 116660621
1-butan-2-ylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321928
1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine
CID 105157358

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine (CID 105151407) is 1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine is CCOCCC(Cc1cc(Cl)ccc1Cl)NC.
What is the InChIKey of 1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine?
The InChIKey is NVMOEQRGXFMXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-3-17-7-6-12(16-2)9-10-8-11(14)4-5-13(10)15/h4-5,8,12,16H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine?
1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine has a molecular weight of 276.21 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine is sourced from PubChem (CID 105151407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).