2-(2,5-dichlorophenoxy)-2-phenylethanamine

C14H13Cl2NO — CID 54579953

IUPAC2-(2,5-dichlorophenoxy)-2-phenylethanamine
SMILESNCC(Oc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C14H13Cl2NO/c15-11-6-7-12(16)13(8-11)18-14(9-17)10-4-2-1-3-5-10/h1-8,14H,9,17H2
InChIKeyPGBKVMPEZANYQB-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.07
Rot. Bonds4

About 2-(2,5-dichlorophenoxy)-2-phenylethanamine

2-(2,5-dichlorophenoxy)-2-phenylethanamine (PubChem CID 54579953) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-2-phenylethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-2-phenylethanamine
PubChem CID54579953
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name2-(2,5-dichlorophenoxy)-2-phenylethanamine
SMILESNCC(Oc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C14H13Cl2NO/c15-11-6-7-12(16)13(8-11)18-14(9-17)10-4-2-1-3-5-10/h1-8,14H,9,17H2
InChIKeyPGBKVMPEZANYQB-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-2-phenylethanamine?
The IUPAC name of 2-(2,5-dichlorophenoxy)-2-phenylethanamine (CID 54579953) is 2-(2,5-dichlorophenoxy)-2-phenylethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-2-phenylethanamine?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-2-phenylethanamine is NCC(Oc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-2-phenylethanamine?
The InChIKey is PGBKVMPEZANYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c15-11-6-7-12(16)13(8-11)18-14(9-17)10-4-2-1-3-5-10/h1-8,14H,9,17H2.
What are the key properties of 2-(2,5-dichlorophenoxy)-2-phenylethanamine?
2-(2,5-dichlorophenoxy)-2-phenylethanamine has a molecular weight of 282.17 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-2-phenylethanamine is sourced from PubChem (CID 54579953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).