N-ethoxy-1-phenylmethanamine

C9H13NO — CID 18794272

IUPACN-ethoxy-1-phenylmethanamine
SMILESCCONCc1ccccc1
InChIInChI=1S/C9H13NO/c1-2-11-10-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyGZFYXELLCJAYIK-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.73
Rot. Bonds4

About N-ethoxy-1-phenylmethanamine

N-ethoxy-1-phenylmethanamine (PubChem CID 18794272) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-ethoxy-1-phenylmethanamine.

Molecular Properties

Compound NameN-ethoxy-1-phenylmethanamine
PubChem CID18794272
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-ethoxy-1-phenylmethanamine
SMILESCCONCc1ccccc1
InChIInChI=1S/C9H13NO/c1-2-11-10-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyGZFYXELLCJAYIK-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-phenylmethanamine?
The IUPAC name of N-ethoxy-1-phenylmethanamine (CID 18794272) is N-ethoxy-1-phenylmethanamine.
What is the SMILES notation for N-ethoxy-1-phenylmethanamine?
The canonical SMILES for N-ethoxy-1-phenylmethanamine is CCONCc1ccccc1.
What is the InChIKey of N-ethoxy-1-phenylmethanamine?
The InChIKey is GZFYXELLCJAYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-11-10-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3.
What are the key properties of N-ethoxy-1-phenylmethanamine?
N-ethoxy-1-phenylmethanamine has a molecular weight of 151.21 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-phenylmethanamine is sourced from PubChem (CID 18794272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).