2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone

C19H25NO — CID 14202258

IUPAC2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone
SMILESCc1cccc(N)c1C(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25NO/c1-12-3-2-4-16(20)18(12)17(21)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15H,5-11,20H2,1H3
InChIKeyAPXJRCZUGLFYLS-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.37
Rot. Bonds3

About 2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone

2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone (PubChem CID 14202258) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone
PubChem CID14202258
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone
SMILESCc1cccc(N)c1C(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25NO/c1-12-3-2-4-16(20)18(12)17(21)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15H,5-11,20H2,1H3
InChIKeyAPXJRCZUGLFYLS-UHFFFAOYSA-N
XLogP4.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 103805242
2-(1-adamantyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 79987615
2-(1-adamantyl)-N'-[2-(2,3-dimethylphenoxy)acetyl]acetohydrazide
CID 8801829
2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755309
2-(1-adamantyl)-N-(4-aminophenyl)acetamide
CID 79987888
2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
CID 139249629
1-[[2-(1-adamantyl)acetyl]amino]-3-(2-methylphenyl)thiourea
CID 8017325
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
2-(1-adamantyl)-1-(4-iodophenyl)ethanone
CID 79988152
cyclopropylmethyl 2-amino-6-methylbenzoate
CID 61310985
[2-(1-adamantyl)-2-oxoethyl] 2,3-dimethylbenzoate
CID 7765096
2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide
CID 2741131

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone?
The IUPAC name of 2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone (CID 14202258) is 2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone.
What is the SMILES notation for 2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone?
The canonical SMILES for 2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone is Cc1cccc(N)c1C(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone?
The InChIKey is APXJRCZUGLFYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-12-3-2-4-16(20)18(12)17(21)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15H,5-11,20H2,1H3.
What are the key properties of 2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone?
2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone has a molecular weight of 283.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone is sourced from PubChem (CID 14202258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).