2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine

C12H15Cl2NO2 — CID 107312027

IUPAC2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
SMILESNC(Cc1cccc(Cl)c1Cl)C1COCCO1
InChIInChI=1S/C12H15Cl2NO2/c13-9-3-1-2-8(12(9)14)6-10(15)11-7-16-4-5-17-11/h1-3,10-11H,4-7,15H2
InChIKeyXHZSYHDTNTXIKL-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.28
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine

2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine (PubChem CID 107312027) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
PubChem CID107312027
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
SMILESNC(Cc1cccc(Cl)c1Cl)C1COCCO1
InChIInChI=1S/C12H15Cl2NO2/c13-9-3-1-2-8(12(9)14)6-10(15)11-7-16-4-5-17-11/h1-3,10-11H,4-7,15H2
InChIKeyXHZSYHDTNTXIKL-UHFFFAOYSA-N
XLogP2.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine
CID 107312987
2-(2,3-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 107308854
1-cyclopropyl-2-(2,3-dichlorophenyl)ethanamine
CID 107308371
[2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine
CID 102868515
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 65350986
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)ethanamine
CID 105031399
1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 65352870
2-(2-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665755
2-(3-bromo-2,6-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 114167013
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920110
2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 107307902
2-(2-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79658002

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine (CID 107312027) is 2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine is NC(Cc1cccc(Cl)c1Cl)C1COCCO1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine?
The InChIKey is XHZSYHDTNTXIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c13-9-3-1-2-8(12(9)14)6-10(15)11-7-16-4-5-17-11/h1-3,10-11H,4-7,15H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine?
2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine has a molecular weight of 276.16 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine is sourced from PubChem (CID 107312027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).