N-methoxy-1-phenylmethanamine

C8H11NO — CID 11815413

IUPACN-methoxy-1-phenylmethanamine
SMILESCONCc1ccccc1
InChIInChI=1S/C8H11NO/c1-10-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyQWLISCJHYITNQF-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.34
Rot. Bonds3

About N-methoxy-1-phenylmethanamine

N-methoxy-1-phenylmethanamine (PubChem CID 11815413) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-methoxy-1-phenylmethanamine.

Molecular Properties

Compound NameN-methoxy-1-phenylmethanamine
PubChem CID11815413
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-methoxy-1-phenylmethanamine
SMILESCONCc1ccccc1
InChIInChI=1S/C8H11NO/c1-10-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyQWLISCJHYITNQF-UHFFFAOYSA-N
XLogP1.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-phenylmethanamine?
The IUPAC name of N-methoxy-1-phenylmethanamine (CID 11815413) is N-methoxy-1-phenylmethanamine.
What is the SMILES notation for N-methoxy-1-phenylmethanamine?
The canonical SMILES for N-methoxy-1-phenylmethanamine is CONCc1ccccc1.
What is the InChIKey of N-methoxy-1-phenylmethanamine?
The InChIKey is QWLISCJHYITNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-10-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of N-methoxy-1-phenylmethanamine?
N-methoxy-1-phenylmethanamine has a molecular weight of 137.18 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-phenylmethanamine is sourced from PubChem (CID 11815413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).