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

C15H21Cl2NO — CID 79758152

IUPAC2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)C1CCOC1C
InChIInChI=1S/C15H21Cl2NO/c1-3-18-15(12-6-7-19-10(12)2)9-11-4-5-13(16)14(17)8-11/h4-5,8,10,12,15,18H,3,6-7,9H2,1-2H3
InChIKeyHTACTFSCWZKHGY-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.94
Rot. Bonds5

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

2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine (PubChem CID 79758152) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
PubChem CID79758152
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)C1CCOC1C
InChIInChI=1S/C15H21Cl2NO/c1-3-18-15(12-6-7-19-10(12)2)9-11-4-5-13(16)14(17)8-11/h4-5,8,10,12,15,18H,3,6-7,9H2,1-2H3
InChIKeyHTACTFSCWZKHGY-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine (CID 79758152) is 2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine is CCNC(Cc1ccc(Cl)c(Cl)c1)C1CCOC1C.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine?
The InChIKey is HTACTFSCWZKHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-3-18-15(12-6-7-19-10(12)2)9-11-4-5-13(16)14(17)8-11/h4-5,8,10,12,15,18H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine?
2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine has a molecular weight of 302.25 g/mol, XLogP of 3.94, 5 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-ethyl-1-(2-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 79758152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).