2-(4-benzylphenoxy)ethanamine

C15H17NO — CID 10609349

IUPAC2-(4-benzylphenoxy)ethanamine
SMILESNCCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H17NO/c16-10-11-17-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9H,10-12,16H2
InChIKeyMJTXDDKAEQAMNA-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.61
Rot. Bonds5

About 2-(4-benzylphenoxy)ethanamine

2-(4-benzylphenoxy)ethanamine (PubChem CID 10609349) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(4-benzylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-benzylphenoxy)ethanamine
PubChem CID10609349
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(4-benzylphenoxy)ethanamine
SMILESNCCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H17NO/c16-10-11-17-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9H,10-12,16H2
InChIKeyMJTXDDKAEQAMNA-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenoxy)ethanamine?
The IUPAC name of 2-(4-benzylphenoxy)ethanamine (CID 10609349) is 2-(4-benzylphenoxy)ethanamine.
What is the SMILES notation for 2-(4-benzylphenoxy)ethanamine?
The canonical SMILES for 2-(4-benzylphenoxy)ethanamine is NCCOc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 2-(4-benzylphenoxy)ethanamine?
The InChIKey is MJTXDDKAEQAMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c16-10-11-17-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9H,10-12,16H2.
What are the key properties of 2-(4-benzylphenoxy)ethanamine?
2-(4-benzylphenoxy)ethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenoxy)ethanamine is sourced from PubChem (CID 10609349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).