2-phenylmethoxyethanamine

C9H13NO — CID 533868

IUPAC2-phenylmethoxyethanamine
SMILESNCCOCc1ccccc1
InChIInChI=1S/C9H13NO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8,10H2
InChIKeyXJGVVOAKITWCAB-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.16
Rot. Bonds4

About 2-phenylmethoxyethanamine

2-phenylmethoxyethanamine (PubChem CID 533868) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-phenylmethoxyethanamine.

Molecular Properties

Compound Name2-phenylmethoxyethanamine
PubChem CID533868
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-phenylmethoxyethanamine
SMILESNCCOCc1ccccc1
InChIInChI=1S/C9H13NO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8,10H2
InChIKeyXJGVVOAKITWCAB-UHFFFAOYSA-N
XLogP1.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.16
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?
The IUPAC name of 2-phenylmethoxyethanamine (CID 533868) is 2-phenylmethoxyethanamine.
What is the SMILES notation for 2-phenylmethoxyethanamine?
The canonical SMILES for 2-phenylmethoxyethanamine is NCCOCc1ccccc1.
What is the InChIKey of 2-phenylmethoxyethanamine?
The InChIKey is XJGVVOAKITWCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8,10H2.
What are the key properties of 2-phenylmethoxyethanamine?
2-phenylmethoxyethanamine has a molecular weight of 151.21 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxyethanamine is sourced from PubChem (CID 533868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).