2-phenylmethoxyethanamine;hydrochloride

C9H14ClNO — CID 2794786

IUPAC2-phenylmethoxyethanamine;hydrochloride
SMILESCl.NCCOCc1ccccc1
InChIInChI=1S/C9H13NO.ClH/c10-6-7-11-8-9-4-2-1-3-5-9;/h1-5H,6-8,10H2;1H
InChIKeyAFQMWBUNDONXED-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.58
Rot. Bonds4

About 2-phenylmethoxyethanamine;hydrochloride

2-phenylmethoxyethanamine;hydrochloride (PubChem CID 2794786) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 2-phenylmethoxyethanamine;hydrochloride.

Molecular Properties

Compound Name2-phenylmethoxyethanamine;hydrochloride
PubChem CID2794786
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name2-phenylmethoxyethanamine;hydrochloride
SMILESCl.NCCOCc1ccccc1
InChIInChI=1S/C9H13NO.ClH/c10-6-7-11-8-9-4-2-1-3-5-9;/h1-5H,6-8,10H2;1H
InChIKeyAFQMWBUNDONXED-UHFFFAOYSA-N
XLogP1.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-phenylmethoxyethanamine;hydrochloride?
The IUPAC name of 2-phenylmethoxyethanamine;hydrochloride (CID 2794786) is 2-phenylmethoxyethanamine;hydrochloride.
What is the SMILES notation for 2-phenylmethoxyethanamine;hydrochloride?
The canonical SMILES for 2-phenylmethoxyethanamine;hydrochloride is Cl.NCCOCc1ccccc1.
What is the InChIKey of 2-phenylmethoxyethanamine;hydrochloride?
The InChIKey is AFQMWBUNDONXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c10-6-7-11-8-9-4-2-1-3-5-9;/h1-5H,6-8,10H2;1H.
What are the key properties of 2-phenylmethoxyethanamine;hydrochloride?
2-phenylmethoxyethanamine;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxyethanamine;hydrochloride is sourced from PubChem (CID 2794786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).