(8-aminonaphthalen-2-yl) butanoate

C14H15NO2 — CID 14205663

IUPAC(8-aminonaphthalen-2-yl) butanoate
SMILESCCCC(=O)Oc1ccc2cccc(N)c2c1
InChIInChI=1S/C14H15NO2/c1-2-4-14(16)17-11-8-7-10-5-3-6-13(15)12(10)9-11/h3,5-9H,2,4,15H2,1H3
InChIKeyUAGAPSOADMXUJW-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.13
Rot. Bonds3

About (8-aminonaphthalen-2-yl) butanoate

(8-aminonaphthalen-2-yl) butanoate (PubChem CID 14205663) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (8-aminonaphthalen-2-yl) butanoate.

Molecular Properties

Compound Name(8-aminonaphthalen-2-yl) butanoate
PubChem CID14205663
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(8-aminonaphthalen-2-yl) butanoate
SMILESCCCC(=O)Oc1ccc2cccc(N)c2c1
InChIInChI=1S/C14H15NO2/c1-2-4-14(16)17-11-8-7-10-5-3-6-13(15)12(10)9-11/h3,5-9H,2,4,15H2,1H3
InChIKeyUAGAPSOADMXUJW-UHFFFAOYSA-N
XLogP3.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-methylphenyl) butanoate
CID 70345434
methyl 3-(8-aminonaphthalen-2-yl)propanoate
CID 167495420
(3-iodophenyl) butanoate
CID 613173
naphthalen-2-yl 3-aminopropanoate
CID 82113672
phenyl butanoate
CID 20354
(2-amino-6-hydroxyphenyl) pentanoate
CID 91194875
(2-oxochromen-7-yl) butanoate
CID 781717
[1-(2-butanoyloxynaphthalen-1-yl)naphthalen-2-yl] butanoate
CID 11004443
7-O-naphthalen-2-yl 1-O-pentyl heptanedioate
CID 91718857
alumane;phenyl butanoate
CID 174579212
phenyl butanoate;zirconium
CID 175596905
naphthalen-2-yl hexadecanoate;phenyl hexadecanoate
CID 157132352

Frequently Asked Questions

What is the IUPAC name of (8-aminonaphthalen-2-yl) butanoate?
The IUPAC name of (8-aminonaphthalen-2-yl) butanoate (CID 14205663) is (8-aminonaphthalen-2-yl) butanoate.
What is the SMILES notation for (8-aminonaphthalen-2-yl) butanoate?
The canonical SMILES for (8-aminonaphthalen-2-yl) butanoate is CCCC(=O)Oc1ccc2cccc(N)c2c1.
What is the InChIKey of (8-aminonaphthalen-2-yl) butanoate?
The InChIKey is UAGAPSOADMXUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-4-14(16)17-11-8-7-10-5-3-6-13(15)12(10)9-11/h3,5-9H,2,4,15H2,1H3.
What are the key properties of (8-aminonaphthalen-2-yl) butanoate?
(8-aminonaphthalen-2-yl) butanoate has a molecular weight of 229.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-aminonaphthalen-2-yl) butanoate is sourced from PubChem (CID 14205663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).