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

C16H23Cl2NO — CID 115862951

IUPAC2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)C1C(C)OC(C)C1C
InChIInChI=1S/C16H23Cl2NO/c1-9-10(2)20-11(3)16(9)15(19-4)8-12-7-13(17)5-6-14(12)18/h5-7,9-11,15-16,19H,8H2,1-4H3
InChIKeyLLXHAIWKGWNDFM-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.18
Rot. Bonds4

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

2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (PubChem CID 115862951) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
PubChem CID115862951
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)C1C(C)OC(C)C1C
InChIInChI=1S/C16H23Cl2NO/c1-9-10(2)20-11(3)16(9)15(19-4)8-12-7-13(17)5-6-14(12)18/h5-7,9-11,15-16,19H,8H2,1-4H3
InChIKeyLLXHAIWKGWNDFM-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115862958
1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 65321437
2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65414577
2-(2-chlorophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155941
1-(4-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65154809
2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963427
(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156692
1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65321733
1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
CID 103311982
(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65157693
1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 115863064
[2-(2,5-dichlorophenyl)-1-(2-methylcyclopropyl)ethyl]hydrazine
CID 105235041

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (CID 115862951) is 2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is CNC(Cc1cc(Cl)ccc1Cl)C1C(C)OC(C)C1C.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The InChIKey is LLXHAIWKGWNDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-9-10(2)20-11(3)16(9)15(19-4)8-12-7-13(17)5-6-14(12)18/h5-7,9-11,15-16,19H,8H2,1-4H3.
What are the key properties of 2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine has a molecular weight of 316.27 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 115862951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).