N-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine

C14H19Cl2NO2 — CID 62598523

IUPACN-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCOc1cccc(Cl)c1Cl)C1CCCO1
InChIInChI=1S/C14H19Cl2NO2/c1-10(12-6-3-8-18-12)17-7-9-19-13-5-2-4-11(15)14(13)16/h2,4-5,10,12,17H,3,6-9H2,1H3
InChIKeyJXFIYEKRCFOBKN-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine

N-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 62598523) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID62598523
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC NameN-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCOc1cccc(Cl)c1Cl)C1CCCO1
InChIInChI=1S/C14H19Cl2NO2/c1-10(12-6-3-8-18-12)17-7-9-19-13-5-2-4-11(15)14(13)16/h2,4-5,10,12,17H,3,6-9H2,1H3
InChIKeyJXFIYEKRCFOBKN-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine (CID 62598523) is N-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine is CC(NCCOc1cccc(Cl)c1Cl)C1CCCO1.
What is the InChIKey of N-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is JXFIYEKRCFOBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-10(12-6-3-8-18-12)17-7-9-19-13-5-2-4-11(15)14(13)16/h2,4-5,10,12,17H,3,6-9H2,1H3.
What are the key properties of N-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine?
N-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 304.22 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62598523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).