N-ethyl-N-[(2-phenylnaphthalen-1-yl)methoxy]ethanamine

C21H23NO — CID 89261708

IUPACN-ethyl-N-[(2-phenylnaphthalen-1-yl)methoxy]ethanamine
SMILESCCN(CC)OCc1c(-c2ccccc2)ccc2ccccc12
InChIInChI=1S/C21H23NO/c1-3-22(4-2)23-16-21-19-13-9-8-12-18(19)14-15-20(21)17-10-6-5-7-11-17/h5-15H,3-4,16H2,1-2H3
InChIKeyKCIBVRVKHSYTRV-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.28
Rot. Bonds6

About N-ethyl-N-[(2-phenylnaphthalen-1-yl)methoxy]ethanamine

N-ethyl-N-[(2-phenylnaphthalen-1-yl)methoxy]ethanamine (PubChem CID 89261708) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is N-ethyl-N-[(2-phenylnaphthalen-1-yl)methoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(2-phenylnaphthalen-1-yl)methoxy]ethanamine
PubChem CID89261708
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC NameN-ethyl-N-[(2-phenylnaphthalen-1-yl)methoxy]ethanamine
SMILESCCN(CC)OCc1c(-c2ccccc2)ccc2ccccc12
InChIInChI=1S/C21H23NO/c1-3-22(4-2)23-16-21-19-13-9-8-12-18(19)14-15-20(21)17-10-6-5-7-11-17/h5-15H,3-4,16H2,1-2H3
InChIKeyKCIBVRVKHSYTRV-UHFFFAOYSA-N
XLogP5.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
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-ethyl-N-[(2-phenylnaphthalen-1-yl)methoxy]ethanamine?
The IUPAC name of N-ethyl-N-[(2-phenylnaphthalen-1-yl)methoxy]ethanamine (CID 89261708) is N-ethyl-N-[(2-phenylnaphthalen-1-yl)methoxy]ethanamine.
What is the SMILES notation for N-ethyl-N-[(2-phenylnaphthalen-1-yl)methoxy]ethanamine?
The canonical SMILES for N-ethyl-N-[(2-phenylnaphthalen-1-yl)methoxy]ethanamine is CCN(CC)OCc1c(-c2ccccc2)ccc2ccccc12.
What is the InChIKey of N-ethyl-N-[(2-phenylnaphthalen-1-yl)methoxy]ethanamine?
The InChIKey is KCIBVRVKHSYTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-3-22(4-2)23-16-21-19-13-9-8-12-18(19)14-15-20(21)17-10-6-5-7-11-17/h5-15H,3-4,16H2,1-2H3.
What are the key properties of N-ethyl-N-[(2-phenylnaphthalen-1-yl)methoxy]ethanamine?
N-ethyl-N-[(2-phenylnaphthalen-1-yl)methoxy]ethanamine has a molecular weight of 305.42 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-phenylnaphthalen-1-yl)methoxy]ethanamine is sourced from PubChem (CID 89261708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).