[2-(4-methoxyanilino)-2-adamantyl]methanol

C18H25NO2 — CID 64757082

IUPAC[2-(4-methoxyanilino)-2-adamantyl]methanol
SMILESCOc1ccc(NC2(CO)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C18H25NO2/c1-21-17-4-2-16(3-5-17)19-18(11-20)14-7-12-6-13(9-14)10-15(18)8-12/h2-5,12-15,19-20H,6-11H2,1H3
InChIKeyNGOIGFOAJNDWQV-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.29
Rot. Bonds4

About [2-(4-methoxyanilino)-2-adamantyl]methanol

[2-(4-methoxyanilino)-2-adamantyl]methanol (PubChem CID 64757082) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-adamantyl]methanol.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-adamantyl]methanol
PubChem CID64757082
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name[2-(4-methoxyanilino)-2-adamantyl]methanol
SMILESCOc1ccc(NC2(CO)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C18H25NO2/c1-21-17-4-2-16(3-5-17)19-18(11-20)14-7-12-6-13(9-14)10-15(18)8-12/h2-5,12-15,19-20H,6-11H2,1H3
InChIKeyNGOIGFOAJNDWQV-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-adamantyl]methanol?
The IUPAC name of [2-(4-methoxyanilino)-2-adamantyl]methanol (CID 64757082) is [2-(4-methoxyanilino)-2-adamantyl]methanol.
What is the SMILES notation for [2-(4-methoxyanilino)-2-adamantyl]methanol?
The canonical SMILES for [2-(4-methoxyanilino)-2-adamantyl]methanol is COc1ccc(NC2(CO)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-adamantyl]methanol?
The InChIKey is NGOIGFOAJNDWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-21-17-4-2-16(3-5-17)19-18(11-20)14-7-12-6-13(9-14)10-15(18)8-12/h2-5,12-15,19-20H,6-11H2,1H3.
What are the key properties of [2-(4-methoxyanilino)-2-adamantyl]methanol?
[2-(4-methoxyanilino)-2-adamantyl]methanol has a molecular weight of 287.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-adamantyl]methanol is sourced from PubChem (CID 64757082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).