N-benzyl-2-methoxyethanamine

C10H15NO — CID 2396989

IUPACN-benzyl-2-methoxyethanamine
SMILESCOCCNCc1ccccc1
InChIInChI=1S/C10H15NO/c1-12-8-7-11-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyBHKFRWOEIYJBLN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.42
Rot. Bonds5

About N-benzyl-2-methoxyethanamine

N-benzyl-2-methoxyethanamine (PubChem CID 2396989) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-benzyl-2-methoxyethanamine.

Molecular Properties

Compound NameN-benzyl-2-methoxyethanamine
PubChem CID2396989
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-benzyl-2-methoxyethanamine
SMILESCOCCNCc1ccccc1
InChIInChI=1S/C10H15NO/c1-12-8-7-11-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyBHKFRWOEIYJBLN-UHFFFAOYSA-N
XLogP1.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.42
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 N-benzyl-2-methoxyethanamine?
The IUPAC name of N-benzyl-2-methoxyethanamine (CID 2396989) is N-benzyl-2-methoxyethanamine.
What is the SMILES notation for N-benzyl-2-methoxyethanamine?
The canonical SMILES for N-benzyl-2-methoxyethanamine is COCCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-methoxyethanamine?
The InChIKey is BHKFRWOEIYJBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-12-8-7-11-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3.
What are the key properties of N-benzyl-2-methoxyethanamine?
N-benzyl-2-methoxyethanamine has a molecular weight of 165.24 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxyethanamine is sourced from PubChem (CID 2396989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).