[(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol

C19H19NO — CID 139951713

IUPAC[(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H19NO/c21-13-17-8-4-10-20(17)19-9-3-7-16-11-14-5-1-2-6-15(14)12-18(16)19/h1-3,5-7,9,11-12,17,21H,4,8,10,13H2/t17-/m0/s1
InChIKeyKXDUQBVVVGNBKZ-KRWDZBQOSA-N
MW277.37 g/mol
LogP3.95
Rot. Bonds2

About [(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol

[(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol (PubChem CID 139951713) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is [(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol
PubChem CID139951713
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name[(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H19NO/c21-13-17-8-4-10-20(17)19-9-3-7-16-11-14-5-1-2-6-15(14)12-18(16)19/h1-3,5-7,9,11-12,17,21H,4,8,10,13H2/t17-/m0/s1
InChIKeyKXDUQBVVVGNBKZ-KRWDZBQOSA-N
XLogP3.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol 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-(2-fluorophenyl)piperidin-2-yl]methanol
CID 68536498
[1-(2-methylquinolin-4-yl)piperidin-2-yl]methanol
CID 60716376
[1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61407421
[1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol
CID 117028440
[1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 137363110
2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 61409798
(1-quinolin-4-ylpiperidin-2-yl)methanol
CID 61339741
1-[2-(hydroxymethyl)piperidin-1-yl]isoquinoline-3-carboxylic acid
CID 61407165
2-amino-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 115545034
1-anthracen-1-ylpiperidine
CID 87717909
[(2R)-1-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 173099689
(2S)-1-naphthalen-1-yl-2-(trifluoromethyl)pyrrolidine
CID 86337138

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol (CID 139951713) is [(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1cccc2cc3ccccc3cc12.
What is the InChIKey of [(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol?
The InChIKey is KXDUQBVVVGNBKZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19NO/c21-13-17-8-4-10-20(17)19-9-3-7-16-11-14-5-1-2-6-15(14)12-18(16)19/h1-3,5-7,9,11-12,17,21H,4,8,10,13H2/t17-/m0/s1.
What are the key properties of [(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol?
[(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol has a molecular weight of 277.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 139951713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).