2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine

C15H21Cl2NO — CID 115840073

IUPAC2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)C1CCC(C)O1
InChIInChI=1S/C15H21Cl2NO/c1-3-18-14(15-7-4-10(2)19-15)8-11-5-6-12(16)9-13(11)17/h5-6,9-10,14-15,18H,3-4,7-8H2,1-2H3
InChIKeyMRGKGMZIVYIPAE-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.08
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine

2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine (PubChem CID 115840073) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine
PubChem CID115840073
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)C1CCC(C)O1
InChIInChI=1S/C15H21Cl2NO/c1-3-18-14(15-7-4-10(2)19-15)8-11-5-6-12(16)9-13(11)17/h5-6,9-10,14-15,18H,3-4,7-8H2,1-2H3
InChIKeyMRGKGMZIVYIPAE-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine
CID 106866357
N-[2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115840490
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954
N-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine
CID 115840777
N-ethyl-1-(5-methyloxolan-2-yl)-2-pyridin-3-ylethanamine
CID 105034589
N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 105045843
1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 55228646
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 106866403
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 106866575
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 106866070
(2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 81331291
[2-(3-chlorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
CID 105283507

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine (CID 115840073) is 2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine is CCNC(Cc1ccc(Cl)cc1Cl)C1CCC(C)O1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine?
The InChIKey is MRGKGMZIVYIPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-3-18-14(15-7-4-10(2)19-15)8-11-5-6-12(16)9-13(11)17/h5-6,9-10,14-15,18H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine?
2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine has a molecular weight of 302.25 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 115840073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).