1-(5-amino-2-octoxyphenyl)ethanone

C16H25NO2 — CID 26223

IUPAC1-(5-amino-2-octoxyphenyl)ethanone
SMILESCCCCCCCCOc1ccc(N)cc1C(C)=O
InChIInChI=1S/C16H25NO2/c1-3-4-5-6-7-8-11-19-16-10-9-14(17)12-15(16)13(2)18/h9-10,12H,3-8,11,17H2,1-2H3
InChIKeyUULAZGTUMKUWND-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.21
Rot. Bonds9

About 1-(5-amino-2-octoxyphenyl)ethanone

1-(5-amino-2-octoxyphenyl)ethanone (PubChem CID 26223) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(5-amino-2-octoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-2-octoxyphenyl)ethanone
PubChem CID26223
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(5-amino-2-octoxyphenyl)ethanone
SMILESCCCCCCCCOc1ccc(N)cc1C(C)=O
InChIInChI=1S/C16H25NO2/c1-3-4-5-6-7-8-11-19-16-10-9-14(17)12-15(16)13(2)18/h9-10,12H,3-8,11,17H2,1-2H3
InChIKeyUULAZGTUMKUWND-UHFFFAOYSA-N
XLogP4.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-2-heptoxybenzoate
CID 61306699
1-(4-acetyl-2,5-dihexadecoxyphenyl)ethanone
CID 101035610
5-amino-2-butoxybenzamide
CID 61305277
5-amino-2-butoxybenzoate
CID 23167453
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
4-amino-2-nonoxybenzoic acid
CID 106954713
1-[5-amino-2-(3-methylbutoxy)phenyl]ethanone
CID 116540998
5-amino-N-[5-[(5-amino-2-butoxybenzoyl)amino]-2,4-dioctoxyphenyl]-2-butoxybenzamide
CID 102030458
1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541088
nonyl 5-amino-2-methoxybenzoate
CID 63450276
5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide
CID 89176474
4-dodecoxy-3-fluoroaniline
CID 63404209

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-octoxyphenyl)ethanone?
The IUPAC name of 1-(5-amino-2-octoxyphenyl)ethanone (CID 26223) is 1-(5-amino-2-octoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-amino-2-octoxyphenyl)ethanone?
The canonical SMILES for 1-(5-amino-2-octoxyphenyl)ethanone is CCCCCCCCOc1ccc(N)cc1C(C)=O.
What is the InChIKey of 1-(5-amino-2-octoxyphenyl)ethanone?
The InChIKey is UULAZGTUMKUWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-4-5-6-7-8-11-19-16-10-9-14(17)12-15(16)13(2)18/h9-10,12H,3-8,11,17H2,1-2H3.
What are the key properties of 1-(5-amino-2-octoxyphenyl)ethanone?
1-(5-amino-2-octoxyphenyl)ethanone has a molecular weight of 263.38 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-octoxyphenyl)ethanone is sourced from PubChem (CID 26223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).