4-[(2-methyl-2-adamantyl)oxy]aniline

C17H23NO — CID 12510285

IUPAC4-[(2-methyl-2-adamantyl)oxy]aniline
SMILESCC1(Oc2ccc(N)cc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H23NO/c1-17(19-16-4-2-15(18)3-5-16)13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14H,6-10,18H2,1H3
InChIKeyXQKHJORLDDASLV-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.86
Rot. Bonds2

About 4-[(2-methyl-2-adamantyl)oxy]aniline

4-[(2-methyl-2-adamantyl)oxy]aniline (PubChem CID 12510285) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-[(2-methyl-2-adamantyl)oxy]aniline.

Molecular Properties

Compound Name4-[(2-methyl-2-adamantyl)oxy]aniline
PubChem CID12510285
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name4-[(2-methyl-2-adamantyl)oxy]aniline
SMILESCC1(Oc2ccc(N)cc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H23NO/c1-17(19-16-4-2-15(18)3-5-16)13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14H,6-10,18H2,1H3
InChIKeyXQKHJORLDDASLV-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.86
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'}

Analyze 4-[(2-methyl-2-adamantyl)oxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline
CID 83119
4-(4-Tert-butylphenoxy)aniline
CID 82498
4-(2-Phenylphenoxy)aniline
CID 902705
4-[4-(2-Methylbutan-2-yl)phenoxy]aniline
CID 2312594
4-(2-Cyclohexylethoxy)aniline
CID 15943048
4,4'-(1,1'-Biphenyl-4,4'-diyldioxy)dianiline
CID 632695
4,4'-[[1,1'-Biphenyl]-2,2'-diylbis(oxy)]dianiline
CID 1107279
2,2-Bis[4-(4-aminophenoxy)phenyl]adamantane
CID 399966
4-(4-Cyclohexylphenoxy)aniline
CID 116794
6-(4-Aminophenoxy)-[1,1'-biphenyl]-3-amine
CID 52915458
4-(Cyclohexylmethoxy)aniline
CID 15681651
Bicyclo(2,2,2)octyloxyaniline
CID 6453380

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-2-adamantyl)oxy]aniline?
The IUPAC name of 4-[(2-methyl-2-adamantyl)oxy]aniline (CID 12510285) is 4-[(2-methyl-2-adamantyl)oxy]aniline.
What is the SMILES notation for 4-[(2-methyl-2-adamantyl)oxy]aniline?
The canonical SMILES for 4-[(2-methyl-2-adamantyl)oxy]aniline is CC1(Oc2ccc(N)cc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 4-[(2-methyl-2-adamantyl)oxy]aniline?
The InChIKey is XQKHJORLDDASLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-17(19-16-4-2-15(18)3-5-16)13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14H,6-10,18H2,1H3.
What are the key properties of 4-[(2-methyl-2-adamantyl)oxy]aniline?
4-[(2-methyl-2-adamantyl)oxy]aniline has a molecular weight of 257.38 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-2-adamantyl)oxy]aniline is sourced from PubChem (CID 12510285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).