N-benzyl-2-phenylmethoxyethanamine

C16H19NO — CID 562448

IUPACN-benzyl-2-phenylmethoxyethanamine
SMILESc1ccc(CNCCOCc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyFOZFIVVHHMNJMK-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.99
Rot. Bonds7

About N-benzyl-2-phenylmethoxyethanamine

N-benzyl-2-phenylmethoxyethanamine (PubChem CID 562448) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-benzyl-2-phenylmethoxyethanamine.

Molecular Properties

Compound NameN-benzyl-2-phenylmethoxyethanamine
PubChem CID562448
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-benzyl-2-phenylmethoxyethanamine
SMILESc1ccc(CNCCOCc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyFOZFIVVHHMNJMK-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.99
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-phenylmethoxyethanamine?
The IUPAC name of N-benzyl-2-phenylmethoxyethanamine (CID 562448) is N-benzyl-2-phenylmethoxyethanamine.
What is the SMILES notation for N-benzyl-2-phenylmethoxyethanamine?
The canonical SMILES for N-benzyl-2-phenylmethoxyethanamine is c1ccc(CNCCOCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-phenylmethoxyethanamine?
The InChIKey is FOZFIVVHHMNJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2.
What are the key properties of N-benzyl-2-phenylmethoxyethanamine?
N-benzyl-2-phenylmethoxyethanamine has a molecular weight of 241.33 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenylmethoxyethanamine is sourced from PubChem (CID 562448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).