1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine

C17H19NO — CID 54929503

IUPAC1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine
SMILESC#CCOc1ccc2ccccc2c1CC(N)CC
InChIInChI=1S/C17H19NO/c1-3-11-19-17-10-9-13-7-5-6-8-15(13)16(17)12-14(18)4-2/h1,5-10,14H,4,11-12,18H2,2H3
InChIKeyFGMLIATZNSDPJC-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.13
Rot. Bonds5

About 1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine

1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine (PubChem CID 54929503) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine
PubChem CID54929503
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine
SMILESC#CCOc1ccc2ccccc2c1CC(N)CC
InChIInChI=1S/C17H19NO/c1-3-11-19-17-10-9-13-7-5-6-8-15(13)16(17)12-14(18)4-2/h1,5-10,14H,4,11-12,18H2,2H3
InChIKeyFGMLIATZNSDPJC-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine?
The IUPAC name of 1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine (CID 54929503) is 1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine.
What is the SMILES notation for 1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine?
The canonical SMILES for 1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine is C#CCOc1ccc2ccccc2c1CC(N)CC.
What is the InChIKey of 1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine?
The InChIKey is FGMLIATZNSDPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-11-19-17-10-9-13-7-5-6-8-15(13)16(17)12-14(18)4-2/h1,5-10,14H,4,11-12,18H2,2H3.
What are the key properties of 1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine?
1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine is sourced from PubChem (CID 54929503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).