N,N-diethyl-2-phenylmethoxyethanamine

C13H21NO — CID 3044879

IUPACN,N-diethyl-2-phenylmethoxyethanamine
SMILESCCN(CC)CCOCc1ccccc1
InChIInChI=1S/C13H21NO/c1-3-14(4-2)10-11-15-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKeyLRLJVBAEZJFSCJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.55
Rot. Bonds7

About N,N-diethyl-2-phenylmethoxyethanamine

N,N-diethyl-2-phenylmethoxyethanamine (PubChem CID 3044879) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N-diethyl-2-phenylmethoxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-phenylmethoxyethanamine
PubChem CID3044879
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN,N-diethyl-2-phenylmethoxyethanamine
SMILESCCN(CC)CCOCc1ccccc1
InChIInChI=1S/C13H21NO/c1-3-14(4-2)10-11-15-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKeyLRLJVBAEZJFSCJ-UHFFFAOYSA-N
XLogP2.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-phenylmethoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-phenylmethoxyethanamine?
The IUPAC name of N,N-diethyl-2-phenylmethoxyethanamine (CID 3044879) is N,N-diethyl-2-phenylmethoxyethanamine.
What is the SMILES notation for N,N-diethyl-2-phenylmethoxyethanamine?
The canonical SMILES for N,N-diethyl-2-phenylmethoxyethanamine is CCN(CC)CCOCc1ccccc1.
What is the InChIKey of N,N-diethyl-2-phenylmethoxyethanamine?
The InChIKey is LRLJVBAEZJFSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-14(4-2)10-11-15-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3.
What are the key properties of N,N-diethyl-2-phenylmethoxyethanamine?
N,N-diethyl-2-phenylmethoxyethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-phenylmethoxyethanamine is sourced from PubChem (CID 3044879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).