1-(4-amino-3-cyclohexyloxyphenyl)ethanone

C14H19NO2 — CID 57381779

IUPAC1-(4-amino-3-cyclohexyloxyphenyl)ethanone
SMILESCC(=O)c1ccc(N)c(OC2CCCCC2)c1
InChIInChI=1S/C14H19NO2/c1-10(16)11-7-8-13(15)14(9-11)17-12-5-3-2-4-6-12/h7-9,12H,2-6,15H2,1H3
InChIKeyFQBZLERZEJDNAC-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.18
Rot. Bonds3

About 1-(4-amino-3-cyclohexyloxyphenyl)ethanone

1-(4-amino-3-cyclohexyloxyphenyl)ethanone (PubChem CID 57381779) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-amino-3-cyclohexyloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-cyclohexyloxyphenyl)ethanone
PubChem CID57381779
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(4-amino-3-cyclohexyloxyphenyl)ethanone
SMILESCC(=O)c1ccc(N)c(OC2CCCCC2)c1
InChIInChI=1S/C14H19NO2/c1-10(16)11-7-8-13(15)14(9-11)17-12-5-3-2-4-6-12/h7-9,12H,2-6,15H2,1H3
InChIKeyFQBZLERZEJDNAC-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

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CID 4633
Oxybuprocaine Hydrochloride
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FK 3311
CID 164009
2486-69-3
CID 288057
(2E)-1-(4-Aminophenyl)-3-(3,4-dimethoxyphenyl)-prop-2-EN-1-one
CID 22786808
(E)-1-(4-(2-fluoroethoxy)phenyl)-3-(4-aminophenyl)prop-2-en-1-one
CID 44482311
(2E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 6145899
Novesin
CID 22304
Methyl 4-amino-3-methoxybenzoate
CID 602411
Methyl 4-amino-3-(benzyloxy)benzenecarboxylate
CID 25052945
1-(4-Amino-3-methoxyphenyl)ethan-1-one
CID 15871038
4-amino-N-(2-propoxyphenyl)benzamide
CID 3239968

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-cyclohexyloxyphenyl)ethanone?
The IUPAC name of 1-(4-amino-3-cyclohexyloxyphenyl)ethanone (CID 57381779) is 1-(4-amino-3-cyclohexyloxyphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-3-cyclohexyloxyphenyl)ethanone?
The canonical SMILES for 1-(4-amino-3-cyclohexyloxyphenyl)ethanone is CC(=O)c1ccc(N)c(OC2CCCCC2)c1.
What is the InChIKey of 1-(4-amino-3-cyclohexyloxyphenyl)ethanone?
The InChIKey is FQBZLERZEJDNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(16)11-7-8-13(15)14(9-11)17-12-5-3-2-4-6-12/h7-9,12H,2-6,15H2,1H3.
What are the key properties of 1-(4-amino-3-cyclohexyloxyphenyl)ethanone?
1-(4-amino-3-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-(4-amino-3-cyclohexyloxyphenyl)ethanone is sourced from PubChem (CID 57381779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).