2-(2-benzylphenoxy)ethanamine;hydrochloride

C15H18ClNO — CID 2876679

IUPAC2-(2-benzylphenoxy)ethanamine;hydrochloride
SMILESCl.NCCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C15H17NO.ClH/c16-10-11-17-15-9-5-4-8-14(15)12-13-6-2-1-3-7-13;/h1-9H,10-12,16H2;1H
InChIKeyGSAOMGRRQCNAAW-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.04
Rot. Bonds5

About 2-(2-benzylphenoxy)ethanamine;hydrochloride

2-(2-benzylphenoxy)ethanamine;hydrochloride (PubChem CID 2876679) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-benzylphenoxy)ethanamine;hydrochloride
PubChem CID2876679
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-(2-benzylphenoxy)ethanamine;hydrochloride
SMILESCl.NCCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C15H17NO.ClH/c16-10-11-17-15-9-5-4-8-14(15)12-13-6-2-1-3-7-13;/h1-9H,10-12,16H2;1H
InChIKeyGSAOMGRRQCNAAW-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(2-benzylphenoxy)ethanamine;hydrochloride (CID 2876679) is 2-(2-benzylphenoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-benzylphenoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-benzylphenoxy)ethanamine;hydrochloride is Cl.NCCOc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylphenoxy)ethanamine;hydrochloride?
The InChIKey is GSAOMGRRQCNAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.ClH/c16-10-11-17-15-9-5-4-8-14(15)12-13-6-2-1-3-7-13;/h1-9H,10-12,16H2;1H.
What are the key properties of 2-(2-benzylphenoxy)ethanamine;hydrochloride?
2-(2-benzylphenoxy)ethanamine;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 2876679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).