2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol

C16H21NO2 — CID 43207098

IUPAC2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol
SMILESCCC(CO)NC(C)c1ccc2ccccc2c1O
InChIInChI=1S/C16H21NO2/c1-3-13(10-18)17-11(2)14-9-8-12-6-4-5-7-15(12)16(14)19/h4-9,11,13,17-19H,3,10H2,1-2H3
InChIKeyYFFASIRIZNFNFD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.97
Rot. Bonds5

About 2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol

2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol (PubChem CID 43207098) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol
PubChem CID43207098
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol
SMILESCCC(CO)NC(C)c1ccc2ccccc2c1O
InChIInChI=1S/C16H21NO2/c1-3-13(10-18)17-11(2)14-9-8-12-6-4-5-7-15(12)16(14)19/h4-9,11,13,17-19H,3,10H2,1-2H3
InChIKeyYFFASIRIZNFNFD-UHFFFAOYSA-N
XLogP2.97
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol (CID 43207098) is 2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol is CCC(CO)NC(C)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol?
The InChIKey is YFFASIRIZNFNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-13(10-18)17-11(2)14-9-8-12-6-4-5-7-15(12)16(14)19/h4-9,11,13,17-19H,3,10H2,1-2H3.
What are the key properties of 2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol?
2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol is sourced from PubChem (CID 43207098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).