4-(1-adamantyloxy)aniline

C16H21NO — CID 7289477

IUPAC4-(1-adamantyloxy)aniline
SMILESNc1ccc(OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C16H21NO/c17-14-1-3-15(4-2-14)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10,17H2
InChIKeyHHAMGUKELAASPP-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.62
Rot. Bonds2

About 4-(1-adamantyloxy)aniline

4-(1-adamantyloxy)aniline (PubChem CID 7289477) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(1-adamantyloxy)aniline.

Molecular Properties

Compound Name4-(1-adamantyloxy)aniline
PubChem CID7289477
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-(1-adamantyloxy)aniline
SMILESNc1ccc(OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C16H21NO/c17-14-1-3-15(4-2-14)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10,17H2
InChIKeyHHAMGUKELAASPP-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline
CID 83119
Benzenamine, 4-(3-methylphenoxy)-
CID 151352
4-(2-Phenylethoxy)aniline
CID 3026856
4-(2-Phenylphenoxy)aniline
CID 902705
4-[4-(2-Methylbutan-2-yl)phenoxy]aniline
CID 2312594
Aniline, p-(3-phenylpropoxy)-
CID 42154
Benzenamine, 4-(3,5-dimethylphenoxy)-
CID 174572
2,6-Bis(1-methylethyl)-4-phenoxybenzenamine
CID 13272139
4-(2-Cyclohexylethoxy)aniline
CID 15943048
2-Methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-amine
CID 89944059
4,4'-(1,1'-Biphenyl-4,4'-diyldioxy)dianiline
CID 632695
4,4'-[[1,1'-Biphenyl]-2,2'-diylbis(oxy)]dianiline
CID 1107279

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyloxy)aniline?
The IUPAC name of 4-(1-adamantyloxy)aniline (CID 7289477) is 4-(1-adamantyloxy)aniline.
What is the SMILES notation for 4-(1-adamantyloxy)aniline?
The canonical SMILES for 4-(1-adamantyloxy)aniline is Nc1ccc(OC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 4-(1-adamantyloxy)aniline?
The InChIKey is HHAMGUKELAASPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c17-14-1-3-15(4-2-14)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10,17H2.
What are the key properties of 4-(1-adamantyloxy)aniline?
4-(1-adamantyloxy)aniline has a molecular weight of 243.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyloxy)aniline is sourced from PubChem (CID 7289477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).