1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine

C16H23Cl2NO — CID 116723730

IUPAC1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)C(OCC)C1CC1
InChIInChI=1S/C16H23Cl2NO/c1-3-19-15(16(20-4-2)11-5-6-11)10-12-9-13(17)7-8-14(12)18/h7-9,11,15-16,19H,3-6,10H2,1-2H3
InChIKeyIJHLMRVCZUOCPR-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.33
Rot. Bonds8

About 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine

1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine (PubChem CID 116723730) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
PubChem CID116723730
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)C(OCC)C1CC1
InChIInChI=1S/C16H23Cl2NO/c1-3-19-15(16(20-4-2)11-5-6-11)10-12-9-13(17)7-8-14(12)18/h7-9,11,15-16,19H,3-6,10H2,1-2H3
InChIKeyIJHLMRVCZUOCPR-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine
CID 116723444
3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 102619358
3-(2-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723625
3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713
1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723664
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 107885188
3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 103516664
1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine
CID 116723635
1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723632
3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495499
1-(2,5-dichlorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721742
1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 116723587

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine (CID 116723730) is 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine is CCNC(Cc1cc(Cl)ccc1Cl)C(OCC)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine?
The InChIKey is IJHLMRVCZUOCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-3-19-15(16(20-4-2)11-5-6-11)10-12-9-13(17)7-8-14(12)18/h7-9,11,15-16,19H,3-6,10H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine?
1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine has a molecular weight of 316.27 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine is sourced from PubChem (CID 116723730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).