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

C15H21Cl2NO — CID 107308697

IUPAC2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)C1CCOCC1
InChIInChI=1S/C15H21Cl2NO/c1-2-18-14(11-6-8-19-9-7-11)10-12-4-3-5-13(16)15(12)17/h3-5,11,14,18H,2,6-10H2,1H3
InChIKeyROZQJNDDCDBFDK-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.94
Rot. Bonds5

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

2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine (PubChem CID 107308697) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
PubChem CID107308697
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)C1CCOCC1
InChIInChI=1S/C15H21Cl2NO/c1-2-18-14(11-6-8-19-9-7-11)10-12-4-3-5-13(16)15(12)17/h3-5,11,14,18H,2,6-10H2,1H3
InChIKeyROZQJNDDCDBFDK-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 ≤ 500302.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-naphthalen-1-yl-1-(oxan-4-yl)ethanamine
CID 62905156
2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine
CID 107308723
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 63936685
1-cyclobutyl-3-(2,3-dichlorophenyl)-N-ethylpropan-2-amine
CID 107311774
1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 65398874
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276626
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 112653790
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107309017
[2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105264342
1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846928
1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 107309012

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine (CID 107308697) is 2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine is CCNC(Cc1cccc(Cl)c1Cl)C1CCOCC1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine?
The InChIKey is ROZQJNDDCDBFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-2-18-14(11-6-8-19-9-7-11)10-12-4-3-5-13(16)15(12)17/h3-5,11,14,18H,2,6-10H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine?
2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine has a molecular weight of 302.24 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-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 107308697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).