(2S)-2-amino-2-anthracen-9-ylethanol

C16H15NO — CID 11623207

IUPAC(2S)-2-amino-2-anthracen-9-ylethanol
SMILESN[C@H](CO)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H15NO/c17-15(10-18)16-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)16/h1-9,15,18H,10,17H2/t15-/m1/s1
InChIKeyZNTMTJISNMWNMS-OAHLLOKOSA-N
MW237.30 g/mol
LogP2.99
Rot. Bonds2

About (2S)-2-amino-2-anthracen-9-ylethanol

(2S)-2-amino-2-anthracen-9-ylethanol (PubChem CID 11623207) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S)-2-amino-2-anthracen-9-ylethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-anthracen-9-ylethanol
PubChem CID11623207
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(2S)-2-amino-2-anthracen-9-ylethanol
SMILESN[C@H](CO)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H15NO/c17-15(10-18)16-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)16/h1-9,15,18H,10,17H2/t15-/m1/s1
InChIKeyZNTMTJISNMWNMS-OAHLLOKOSA-N
XLogP2.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (2S)-2-amino-2-anthracen-9-ylethanol 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

1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
CID 77129792
(1S)-1-anthracen-9-yl-2-fluoroethanamine
CID 171197554
2-amino-2-phenanthren-9-ylethanol
CID 77130155
2-anthracen-9-yl-2-phenylethanol
CID 87369453
(1R)-1-anthracen-9-ylbut-3-en-1-amine;hydrochloride
CID 171197568
(1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride
CID 171197562
ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride
CID 171197606
2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride
CID 170891747
2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol
CID 139983141
(1R,2S)-1-amino-1-anthracen-9-yl-5-methylhexan-2-ol
CID 171260722
(3S)-3-amino-3-phenanthren-9-ylpropan-1-ol
CID 171232475
(1R,2S)-1-amino-1-anthracen-9-yl-5-methylhexan-2-ol;hydrochloride
CID 171260723

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-anthracen-9-ylethanol?
The IUPAC name of (2S)-2-amino-2-anthracen-9-ylethanol (CID 11623207) is (2S)-2-amino-2-anthracen-9-ylethanol.
What is the SMILES notation for (2S)-2-amino-2-anthracen-9-ylethanol?
The canonical SMILES for (2S)-2-amino-2-anthracen-9-ylethanol is N[C@H](CO)c1c2ccccc2cc2ccccc12.
What is the InChIKey of (2S)-2-amino-2-anthracen-9-ylethanol?
The InChIKey is ZNTMTJISNMWNMS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15NO/c17-15(10-18)16-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)16/h1-9,15,18H,10,17H2/t15-/m1/s1.
What are the key properties of (2S)-2-amino-2-anthracen-9-ylethanol?
(2S)-2-amino-2-anthracen-9-ylethanol has a molecular weight of 237.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-anthracen-9-ylethanol is sourced from PubChem (CID 11623207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).