1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine

C17H21NO — CID 60888843

IUPAC1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine
SMILESC/C=C/COc1c(C(C)NC)ccc2ccccc12
InChIInChI=1S/C17H21NO/c1-4-5-12-19-17-15(13(2)18-3)11-10-14-8-6-7-9-16(14)17/h4-11,13,18H,12H2,1-3H3/b5-4+
InChIKeyFTZBJZUKFRYVGB-SNAWJCMRSA-N
MW255.36 g/mol
LogP4.08
Rot. Bonds5

About 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine

1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine (PubChem CID 60888843) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine
PubChem CID60888843
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine
SMILESC/C=C/COc1c(C(C)NC)ccc2ccccc12
InChIInChI=1S/C17H21NO/c1-4-5-12-19-17-15(13(2)18-3)11-10-14-8-6-7-9-16(14)17/h4-11,13,18H,12H2,1-3H3/b5-4+
InChIKeyFTZBJZUKFRYVGB-SNAWJCMRSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine (CID 60888843) is 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine is C/C=C/COc1c(C(C)NC)ccc2ccccc12.
What is the InChIKey of 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine?
The InChIKey is FTZBJZUKFRYVGB-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-5-12-19-17-15(13(2)18-3)11-10-14-8-6-7-9-16(14)17/h4-11,13,18H,12H2,1-3H3/b5-4+.
What are the key properties of 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine?
1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine has a molecular weight of 255.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine is sourced from PubChem (CID 60888843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).