1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone

C15H21NO3 — CID 104529355

IUPAC1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone
SMILESCOC1CCCC(Oc2ccc(C(C)=O)c(N)c2)C1
InChIInChI=1S/C15H21NO3/c1-10(17)14-7-6-13(9-15(14)16)19-12-5-3-4-11(8-12)18-2/h6-7,9,11-12H,3-5,8,16H2,1-2H3
InChIKeyLOUPGWWKDDVNEZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.81
Rot. Bonds4

About 1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone

1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone (PubChem CID 104529355) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone
PubChem CID104529355
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone
SMILESCOC1CCCC(Oc2ccc(C(C)=O)c(N)c2)C1
InChIInChI=1S/C15H21NO3/c1-10(17)14-7-6-13(9-15(14)16)19-12-5-3-4-11(8-12)18-2/h6-7,9,11-12H,3-5,8,16H2,1-2H3
InChIKeyLOUPGWWKDDVNEZ-UHFFFAOYSA-N
XLogP2.81
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.81
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

1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone
CID 104529359
1-(2-amino-5-cyclohexyloxyphenyl)ethanone
CID 113433081
methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate
CID 106955060
1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone
CID 83120164
1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one
CID 115495273
2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide
CID 107279013
2-amino-4-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 113419910
1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene
CID 65202671
potassium trifluoro-[4-(3-methoxycyclohexyl)oxy-2-methylphenyl]boranuide
CID 83137054
5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 107684644
(1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine
CID 78958674
5-(3-ethylcyclohexyl)oxy-2-methoxyaniline
CID 103201492

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone (CID 104529355) is 1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone is COC1CCCC(Oc2ccc(C(C)=O)c(N)c2)C1.
What is the InChIKey of 1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone?
The InChIKey is LOUPGWWKDDVNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(17)14-7-6-13(9-15(14)16)19-12-5-3-4-11(8-12)18-2/h6-7,9,11-12H,3-5,8,16H2,1-2H3.
What are the key properties of 1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone?
1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone is sourced from PubChem (CID 104529355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).