1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine

C15H23Cl2NO — CID 116759210

IUPAC1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(c1cccc(Cl)c1Cl)C(C)(CC)OCC
InChIInChI=1S/C15H23Cl2NO/c1-5-15(4,19-7-3)14(18-6-2)11-9-8-10-12(16)13(11)17/h8-10,14,18H,5-7H2,1-4H3
InChIKeyRNISLTSWQHMJIL-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.85
Rot. Bonds7

About 1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine

1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine (PubChem CID 116759210) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
PubChem CID116759210
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(c1cccc(Cl)c1Cl)C(C)(CC)OCC
InChIInChI=1S/C15H23Cl2NO/c1-5-15(4,19-7-3)14(18-6-2)11-9-8-10-12(16)13(11)17/h8-10,14,18H,5-7H2,1-4H3
InChIKeyRNISLTSWQHMJIL-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 115851288
1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
CID 116760422
2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine
CID 103143830
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine
CID 116759180
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 103433948
1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115850050
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758747
N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine
CID 116757964
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine
CID 114731347

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine (CID 116759210) is 1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine is CCNC(c1cccc(Cl)c1Cl)C(C)(CC)OCC.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine?
The InChIKey is RNISLTSWQHMJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-5-15(4,19-7-3)14(18-6-2)11-9-8-10-12(16)13(11)17/h8-10,14,18H,5-7H2,1-4H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine?
1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine has a molecular weight of 304.26 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 116759210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).