ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate

C17H21NO3 — CID 83037159

IUPACethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate
SMILESCCCC(Oc1ccc(N)c2ccccc12)C(=O)OCC
InChIInChI=1S/C17H21NO3/c1-3-7-16(17(19)20-4-2)21-15-11-10-14(18)12-8-5-6-9-13(12)15/h5-6,8-11,16H,3-4,7,18H2,1-2H3
InChIKeyOEIRIHNPIHAOGU-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.53
Rot. Bonds6

About ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate

ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate (PubChem CID 83037159) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate.

Molecular Properties

Compound Nameethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate
PubChem CID83037159
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Nameethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate
SMILESCCCC(Oc1ccc(N)c2ccccc12)C(=O)OCC
InChIInChI=1S/C17H21NO3/c1-3-7-16(17(19)20-4-2)21-15-11-10-14(18)12-8-5-6-9-13(12)15/h5-6,8-11,16H,3-4,7,18H2,1-2H3
InChIKeyOEIRIHNPIHAOGU-UHFFFAOYSA-N
XLogP3.53
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-amino-5-methylphenoxy)pentanoate
CID 83034439
ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate
CID 107711619
ethyl 2-[10-(1-ethoxy-1-oxohexan-2-yl)oxyanthracen-9-yl]oxyhexanoate
CID 156779096
ethyl 2-(4-amino-2-chlorophenoxy)pentanoate
CID 83034701
ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate
CID 83049068
ethyl 2-(2,4,5-trichlorophenoxy)pentanoate
CID 83038818
2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one
CID 46307329
ethyl 2-[4-amino-2-(trifluoromethyl)phenoxy]pentanoate
CID 83037158
2-phenoxypentaneperoxoic acid
CID 18459699
3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid
CID 83040947
ethyl 2-(4-cyano-2-methylphenoxy)pentanoate
CID 143123219
ethyl 2-benzhydryloxypentanoate
CID 22159721

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate?
The IUPAC name of ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate (CID 83037159) is ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate.
What is the SMILES notation for ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate?
The canonical SMILES for ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate is CCCC(Oc1ccc(N)c2ccccc12)C(=O)OCC.
What is the InChIKey of ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate?
The InChIKey is OEIRIHNPIHAOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-7-16(17(19)20-4-2)21-15-11-10-14(18)12-8-5-6-9-13(12)15/h5-6,8-11,16H,3-4,7,18H2,1-2H3.
What are the key properties of ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate?
ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate has a molecular weight of 287.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate is sourced from PubChem (CID 83037159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).