2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine

C14H19Cl2NO — CID 115843383

IUPAC2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)c(Cl)c1)C1CCC(C)O1
InChIInChI=1S/C14H19Cl2NO/c1-9-3-6-14(18-9)13(17-2)8-10-4-5-11(15)12(16)7-10/h4-5,7,9,13-14,17H,3,6,8H2,1-2H3
InChIKeyCPQNJZOQMYBSEC-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.69
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine

2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine (PubChem CID 115843383) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
PubChem CID115843383
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)c(Cl)c1)C1CCC(C)O1
InChIInChI=1S/C14H19Cl2NO/c1-9-3-6-14(18-9)13(17-2)8-10-4-5-11(15)12(16)7-10/h4-5,7,9,13-14,17H,3,6,8H2,1-2H3
InChIKeyCPQNJZOQMYBSEC-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115843395
2-(3-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115795534
2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115841409
N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine
CID 115845115
[2-(3-chlorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
CID 105283507
N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828617
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 105031407
2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424347
2-(3-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 103043101
2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79758152
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103043459
N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843397

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine (CID 115843383) is 2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine is CNC(Cc1ccc(Cl)c(Cl)c1)C1CCC(C)O1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine?
The InChIKey is CPQNJZOQMYBSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-9-3-6-14(18-9)13(17-2)8-10-4-5-11(15)12(16)7-10/h4-5,7,9,13-14,17H,3,6,8H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine?
2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine has a molecular weight of 288.22 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 115843383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).