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

C14H19NO2 — CID 113433081

IUPAC1-(2-amino-5-cyclohexyloxyphenyl)ethanone
SMILESCC(=O)c1cc(OC2CCCCC2)ccc1N
InChIInChI=1S/C14H19NO2/c1-10(16)13-9-12(7-8-14(13)15)17-11-5-3-2-4-6-11/h7-9,11H,2-6,15H2,1H3
InChIKeyPXDNYCLWSNKYCJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.18
Rot. Bonds3

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

1-(2-amino-5-cyclohexyloxyphenyl)ethanone (PubChem CID 113433081) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-amino-5-cyclohexyloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-cyclohexyloxyphenyl)ethanone
PubChem CID113433081
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2-amino-5-cyclohexyloxyphenyl)ethanone
SMILESCC(=O)c1cc(OC2CCCCC2)ccc1N
InChIInChI=1S/C14H19NO2/c1-10(16)13-9-12(7-8-14(13)15)17-11-5-3-2-4-6-11/h7-9,11H,2-6,15H2,1H3
InChIKeyPXDNYCLWSNKYCJ-UHFFFAOYSA-N
XLogP3.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-5-cyclohexyloxybenzoate
CID 61312279
1-(5-cyclohexyloxy-2-nitrophenyl)ethanone
CID 104613740
1-[2-amino-5-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanone
CID 104613255
1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone
CID 104529355
2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114341710
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate
CID 61307094
2-(aminomethyl)-4-cyclopentyloxyaniline
CID 82507186
1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone
CID 104529359
1-(4-bromo-2-cyclopentyloxyphenyl)ethanone
CID 70085923
1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone
CID 76849353
1-[2-amino-5-(oxan-4-ylmethoxy)phenyl]ethanone
CID 104613309

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-cyclohexyloxyphenyl)ethanone?
The IUPAC name of 1-(2-amino-5-cyclohexyloxyphenyl)ethanone (CID 113433081) is 1-(2-amino-5-cyclohexyloxyphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-5-cyclohexyloxyphenyl)ethanone?
The canonical SMILES for 1-(2-amino-5-cyclohexyloxyphenyl)ethanone is CC(=O)c1cc(OC2CCCCC2)ccc1N.
What is the InChIKey of 1-(2-amino-5-cyclohexyloxyphenyl)ethanone?
The InChIKey is PXDNYCLWSNKYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(16)13-9-12(7-8-14(13)15)17-11-5-3-2-4-6-11/h7-9,11H,2-6,15H2,1H3.
What are the key properties of 1-(2-amino-5-cyclohexyloxyphenyl)ethanone?
1-(2-amino-5-cyclohexyloxyphenyl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-cyclohexyloxyphenyl)ethanone is sourced from PubChem (CID 113433081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).