2-(4-chlorophenoxy)ethanamine

C8H10ClNO — CID 2794191

IUPAC2-(4-chlorophenoxy)ethanamine
SMILESNCCOc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2
InChIKeyKSHXAAXEJWSEND-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.68
Rot. Bonds3

About 2-(4-chlorophenoxy)ethanamine

2-(4-chlorophenoxy)ethanamine (PubChem CID 2794191) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethanamine
PubChem CID2794191
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2-(4-chlorophenoxy)ethanamine
SMILESNCCOc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2
InChIKeyKSHXAAXEJWSEND-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethanamine?
The IUPAC name of 2-(4-chlorophenoxy)ethanamine (CID 2794191) is 2-(4-chlorophenoxy)ethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)ethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)ethanamine is NCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethanamine?
The InChIKey is KSHXAAXEJWSEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2.
What are the key properties of 2-(4-chlorophenoxy)ethanamine?
2-(4-chlorophenoxy)ethanamine has a molecular weight of 171.63 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethanamine is sourced from PubChem (CID 2794191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).