1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone

C16H17NO3 — CID 116541088

IUPAC1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(N)ccc1OCCOc1ccccc1
InChIInChI=1S/C16H17NO3/c1-12(18)15-11-13(17)7-8-16(15)20-10-9-19-14-5-3-2-4-6-14/h2-8,11H,9-10,17H2,1H3
InChIKeyMXRNWWBTCWFOFL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.93
Rot. Bonds6

About 1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone

1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone (PubChem CID 116541088) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone
PubChem CID116541088
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(N)ccc1OCCOc1ccccc1
InChIInChI=1S/C16H17NO3/c1-12(18)15-11-13(17)7-8-16(15)20-10-9-19-14-5-3-2-4-6-14/h2-8,11H,9-10,17H2,1H3
InChIKeyMXRNWWBTCWFOFL-UHFFFAOYSA-N
XLogP2.93
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[5-amino-2-(2-phenylsulfanylethoxy)phenyl]ethanone
CID 116540903
1-(5-amino-2-octoxyphenyl)ethanone
CID 26223
1-[5-amino-2-(3-methylbutoxy)phenyl]ethanone
CID 116540998
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
CID 112787668
5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide
CID 106956131
3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide
CID 116540898
1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone
CID 116541044
4-methoxy-3-(3-phenoxypropoxy)aniline
CID 62936938
1-[3-amino-5-bromo-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541361
1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone
CID 116541551
5-amino-2-(4-propoxyphenoxy)benzoic acid
CID 60987362

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone?
The IUPAC name of 1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone (CID 116541088) is 1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone is CC(=O)c1cc(N)ccc1OCCOc1ccccc1.
What is the InChIKey of 1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone?
The InChIKey is MXRNWWBTCWFOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12(18)15-11-13(17)7-8-16(15)20-10-9-19-14-5-3-2-4-6-14/h2-8,11H,9-10,17H2,1H3.
What are the key properties of 1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone?
1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone has a molecular weight of 271.32 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone is sourced from PubChem (CID 116541088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).