4-(1-adamantyloxy)-2,6-dimethylaniline

C18H25NO — CID 12510289

IUPAC4-(1-adamantyloxy)-2,6-dimethylaniline
SMILESCc1cc(OC23CC4CC(CC(C4)C2)C3)cc(C)c1N
InChIInChI=1S/C18H25NO/c1-11-3-16(4-12(2)17(11)19)20-18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,13-15H,5-10,19H2,1-2H3
InChIKeyARKHPTIEDCDAAD-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.23
Rot. Bonds2

About 4-(1-adamantyloxy)-2,6-dimethylaniline

4-(1-adamantyloxy)-2,6-dimethylaniline (PubChem CID 12510289) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-(1-adamantyloxy)-2,6-dimethylaniline.

Molecular Properties

Compound Name4-(1-adamantyloxy)-2,6-dimethylaniline
PubChem CID12510289
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name4-(1-adamantyloxy)-2,6-dimethylaniline
SMILESCc1cc(OC23CC4CC(CC(C4)C2)C3)cc(C)c1N
InChIInChI=1S/C18H25NO/c1-11-3-16(4-12(2)17(11)19)20-18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,13-15H,5-10,19H2,1-2H3
InChIKeyARKHPTIEDCDAAD-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyloxy)-2,6-dimethylaniline?
The IUPAC name of 4-(1-adamantyloxy)-2,6-dimethylaniline (CID 12510289) is 4-(1-adamantyloxy)-2,6-dimethylaniline.
What is the SMILES notation for 4-(1-adamantyloxy)-2,6-dimethylaniline?
The canonical SMILES for 4-(1-adamantyloxy)-2,6-dimethylaniline is Cc1cc(OC23CC4CC(CC(C4)C2)C3)cc(C)c1N.
What is the InChIKey of 4-(1-adamantyloxy)-2,6-dimethylaniline?
The InChIKey is ARKHPTIEDCDAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-11-3-16(4-12(2)17(11)19)20-18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,13-15H,5-10,19H2,1-2H3.
What are the key properties of 4-(1-adamantyloxy)-2,6-dimethylaniline?
4-(1-adamantyloxy)-2,6-dimethylaniline has a molecular weight of 271.40 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyloxy)-2,6-dimethylaniline is sourced from PubChem (CID 12510289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).