2-(1-adamantyl)-6-aminophenol

C16H21NO — CID 141137545

IUPAC2-(1-adamantyl)-6-aminophenol
SMILESNc1cccc(C23CC4CC(CC(C4)C2)C3)c1O
InChIInChI=1S/C16H21NO/c17-14-3-1-2-13(15(14)18)16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12,18H,4-9,17H2
InChIKeyNRBAQMPPPRGAJZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.44
Rot. Bonds1

About 2-(1-adamantyl)-6-aminophenol

2-(1-adamantyl)-6-aminophenol (PubChem CID 141137545) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(1-adamantyl)-6-aminophenol.

Molecular Properties

Compound Name2-(1-adamantyl)-6-aminophenol
PubChem CID141137545
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-(1-adamantyl)-6-aminophenol
SMILESNc1cccc(C23CC4CC(CC(C4)C2)C3)c1O
InChIInChI=1S/C16H21NO/c17-14-3-1-2-13(15(14)18)16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12,18H,4-9,17H2
InChIKeyNRBAQMPPPRGAJZ-UHFFFAOYSA-N
XLogP3.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(1-adamantyl)phenol
CID 14169592
4-(1-adamantyl)benzene-1,2,3-triol
CID 59591581
2,6-bis(1-adamantyl)benzoic acid
CID 122626178
2-(1-adamantyl)benzene-1,3-diol
CID 22754692
2-(1-adamantyl)-6-amino-4-(9H-fluoren-1-yl)phenol
CID 152525649
2-(1-adamantyl)-3-[2-[2-[2-(1-adamantyl)-4-amino-3-hydroxyphenoxy]phenyl]phenoxy]-6-aminophenol
CID 87425422
3-(1-adamantyl)phthalic acid
CID 141137519
4-(1-adamantyl)-2,3-dihydroxybenzoic acid
CID 122509295
2,4,5-tris(1-adamantyl)benzene-1,3-diol
CID 87124845
3-(1-adamantyl)-5-[3-[3-(1-adamantyl)-4-amino-5-hydroxyphenoxy]phenoxy]-2-aminophenol
CID 67506797
2-[3-(1-adamantyl)-2-hydroxyphenyl]naphthalene-1-carboxylic acid
CID 91110592
2-(2-adamantyl)-6-amino-3-[2,4-bis(1-adamantyl)-5-[2-(2-adamantyl)-4-amino-3-hydroxyphenoxy]phenoxy]phenol
CID 67506351

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-6-aminophenol?
The IUPAC name of 2-(1-adamantyl)-6-aminophenol (CID 141137545) is 2-(1-adamantyl)-6-aminophenol.
What is the SMILES notation for 2-(1-adamantyl)-6-aminophenol?
The canonical SMILES for 2-(1-adamantyl)-6-aminophenol is Nc1cccc(C23CC4CC(CC(C4)C2)C3)c1O.
What is the InChIKey of 2-(1-adamantyl)-6-aminophenol?
The InChIKey is NRBAQMPPPRGAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c17-14-3-1-2-13(15(14)18)16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12,18H,4-9,17H2.
What are the key properties of 2-(1-adamantyl)-6-aminophenol?
2-(1-adamantyl)-6-aminophenol has a molecular weight of 243.35 g/mol, XLogP of 3.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-6-aminophenol is sourced from PubChem (CID 141137545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).