2-(1-adamantylamino)-1-(3-aminophenyl)ethanone

C18H24N2O — CID 82258305

IUPAC2-(1-adamantylamino)-1-(3-aminophenyl)ethanone
SMILESNc1cccc(C(=O)CNC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C18H24N2O/c19-16-3-1-2-15(7-16)17(21)11-20-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,20H,4-6,8-11,19H2
InChIKeyCWNUTENMYTXXPW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.01
Rot. Bonds4

About 2-(1-adamantylamino)-1-(3-aminophenyl)ethanone

2-(1-adamantylamino)-1-(3-aminophenyl)ethanone (PubChem CID 82258305) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(1-adamantylamino)-1-(3-aminophenyl)ethanone.

Molecular Properties

Compound Name2-(1-adamantylamino)-1-(3-aminophenyl)ethanone
PubChem CID82258305
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(1-adamantylamino)-1-(3-aminophenyl)ethanone
SMILESNc1cccc(C(=O)CNC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C18H24N2O/c19-16-3-1-2-15(7-16)17(21)11-20-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,20H,4-6,8-11,19H2
InChIKeyCWNUTENMYTXXPW-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-1-(3-aminophenyl)ethanone?
The IUPAC name of 2-(1-adamantylamino)-1-(3-aminophenyl)ethanone (CID 82258305) is 2-(1-adamantylamino)-1-(3-aminophenyl)ethanone.
What is the SMILES notation for 2-(1-adamantylamino)-1-(3-aminophenyl)ethanone?
The canonical SMILES for 2-(1-adamantylamino)-1-(3-aminophenyl)ethanone is Nc1cccc(C(=O)CNC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2-(1-adamantylamino)-1-(3-aminophenyl)ethanone?
The InChIKey is CWNUTENMYTXXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c19-16-3-1-2-15(7-16)17(21)11-20-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,20H,4-6,8-11,19H2.
What are the key properties of 2-(1-adamantylamino)-1-(3-aminophenyl)ethanone?
2-(1-adamantylamino)-1-(3-aminophenyl)ethanone has a molecular weight of 284.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-1-(3-aminophenyl)ethanone is sourced from PubChem (CID 82258305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).