(S)-1-adamantyl-(4-aminophenyl)methanol

C17H23NO — CID 139076507

IUPAC(S)-1-adamantyl-(4-aminophenyl)methanol
SMILESNc1ccc([C@@H](O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H23NO/c18-15-3-1-14(2-4-15)16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,16,19H,5-10,18H2/t11?,12?,13?,16-,17?/m1/s1
InChIKeyJFGBECRVMYCKSW-XPSVCEGCSA-N
MW257.38 g/mol
LogP3.52
Rot. Bonds2

About (S)-1-adamantyl-(4-aminophenyl)methanol

(S)-1-adamantyl-(4-aminophenyl)methanol (PubChem CID 139076507) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (S)-1-adamantyl-(4-aminophenyl)methanol.

Molecular Properties

Compound Name(S)-1-adamantyl-(4-aminophenyl)methanol
PubChem CID139076507
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(S)-1-adamantyl-(4-aminophenyl)methanol
SMILESNc1ccc([C@@H](O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H23NO/c18-15-3-1-14(2-4-15)16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,16,19H,5-10,18H2/t11?,12?,13?,16-,17?/m1/s1
InChIKeyJFGBECRVMYCKSW-XPSVCEGCSA-N
XLogP3.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-adamantyl-(4-chlorophenyl)methanol
CID 55186220
(R)-1-adamantyl-(4-methoxyphenyl)methanol
CID 7064962
1-adamantyl-[4-(dimethylamino)phenyl]methanol;hydrochloride
CID 70589272
1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63019202
1-adamantyl-(1-methylpyrazol-4-yl)methanol
CID 61088213
1-adamantyl-(2-methoxyphenyl)methanol
CID 63410949
1-adamantyl(1H-pyrrol-2-yl)methanol
CID 55231566
1-adamantyl-(2-methylphenyl)methanol
CID 63410950
1-adamantyl-(4-chlorophenyl)methanamine
CID 43096295
1-adamantyl-(2,5-difluorophenyl)methanol
CID 63410694
(3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol
CID 79998019
(3,5-dimethylphenyl)-(3-methyl-1-adamantyl)methanol
CID 114979753

Frequently Asked Questions

What is the IUPAC name of (S)-1-adamantyl-(4-aminophenyl)methanol?
The IUPAC name of (S)-1-adamantyl-(4-aminophenyl)methanol (CID 139076507) is (S)-1-adamantyl-(4-aminophenyl)methanol.
What is the SMILES notation for (S)-1-adamantyl-(4-aminophenyl)methanol?
The canonical SMILES for (S)-1-adamantyl-(4-aminophenyl)methanol is Nc1ccc([C@@H](O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of (S)-1-adamantyl-(4-aminophenyl)methanol?
The InChIKey is JFGBECRVMYCKSW-XPSVCEGCSA-N. The full InChI is InChI=1S/C17H23NO/c18-15-3-1-14(2-4-15)16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,16,19H,5-10,18H2/t11?,12?,13?,16-,17?/m1/s1.
What are the key properties of (S)-1-adamantyl-(4-aminophenyl)methanol?
(S)-1-adamantyl-(4-aminophenyl)methanol has a molecular weight of 257.38 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-1-adamantyl-(4-aminophenyl)methanol is sourced from PubChem (CID 139076507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).