1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine

C13H17Cl2NO2 — CID 103546660

IUPAC1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
SMILESCCNC(CC1OCCO1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-2-16-11(8-12-17-6-7-18-12)9-4-3-5-10(14)13(9)15/h3-5,11-12,16H,2,6-8H2,1H3
InChIKeyWTLQAYJPJHBXQR-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.41
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine

1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine (PubChem CID 103546660) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
PubChem CID103546660
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
SMILESCCNC(CC1OCCO1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-2-16-11(8-12-17-6-7-18-12)9-4-3-5-10(14)13(9)15/h3-5,11-12,16H,2,6-8H2,1H3
InChIKeyWTLQAYJPJHBXQR-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)ethyl]propan-1-amine
CID 103546661
1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846928
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 105003608
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
2-(1,3-dioxolan-2-yl)-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103547077
1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63413278
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 55115861
1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547063
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine (CID 103546660) is 1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine is CCNC(CC1OCCO1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine?
The InChIKey is WTLQAYJPJHBXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-2-16-11(8-12-17-6-7-18-12)9-4-3-5-10(14)13(9)15/h3-5,11-12,16H,2,6-8H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine?
1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine has a molecular weight of 290.19 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine is sourced from PubChem (CID 103546660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).