1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone

C16H23NO2 — CID 104529359

IUPAC1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(OC2CC(C)CC(C)C2)cc1N
InChIInChI=1S/C16H23NO2/c1-10-6-11(2)8-14(7-10)19-13-4-5-15(12(3)18)16(17)9-13/h4-5,9-11,14H,6-8,17H2,1-3H3
InChIKeyWXGKZTYGFXHSFG-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.67
Rot. Bonds3

About 1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone

1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone (PubChem CID 104529359) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone
PubChem CID104529359
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(OC2CC(C)CC(C)C2)cc1N
InChIInChI=1S/C16H23NO2/c1-10-6-11(2)8-14(7-10)19-13-4-5-15(12(3)18)16(17)9-13/h4-5,9-11,14H,6-8,17H2,1-3H3
InChIKeyWXGKZTYGFXHSFG-UHFFFAOYSA-N
XLogP3.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.67
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

1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone
CID 104529355
1-[2-amino-5-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanone
CID 104613255
2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide
CID 115413365
2-amino-4-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 113419910
1-[3-amino-5-bromo-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone
CID 116541300
4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline
CID 83002906
1-[2-amino-4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanone
CID 113423171
1-(2-amino-5-cyclohexyloxyphenyl)ethanone
CID 113433081
4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide
CID 64730373
4-(3-methylcyclobutyl)oxybenzoic acid
CID 156751955
2-amino-5-(3,3,5-trimethylcyclohexyl)oxybenzamide
CID 61307766
1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 104529311

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone (CID 104529359) is 1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone is CC(=O)c1ccc(OC2CC(C)CC(C)C2)cc1N.
What is the InChIKey of 1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone?
The InChIKey is WXGKZTYGFXHSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10-6-11(2)8-14(7-10)19-13-4-5-15(12(3)18)16(17)9-13/h4-5,9-11,14H,6-8,17H2,1-3H3.
What are the key properties of 1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone?
1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone is sourced from PubChem (CID 104529359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).