[(2R)-1-[2-[4-(dimethylamino)phenyl]ethyl]pyrrolidin-2-yl]methanol

C15H24N2O — CID 69199684

IUPAC[(2R)-1-[2-[4-(dimethylamino)phenyl]ethyl]pyrrolidin-2-yl]methanol
SMILESCN(C)c1ccc(CCN2CCC[C@@H]2CO)cc1
InChIInChI=1S/C15H24N2O/c1-16(2)14-7-5-13(6-8-14)9-11-17-10-3-4-15(17)12-18/h5-8,15,18H,3-4,9-12H2,1-2H3/t15-/m1/s1
InChIKeyCYODRDNKVZQRNO-OAHLLOKOSA-N
MW248.37 g/mol
LogP1.75
Rot. Bonds5

About [(2R)-1-[2-[4-(dimethylamino)phenyl]ethyl]pyrrolidin-2-yl]methanol

[(2R)-1-[2-[4-(dimethylamino)phenyl]ethyl]pyrrolidin-2-yl]methanol (PubChem CID 69199684) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [(2R)-1-[2-[4-(dimethylamino)phenyl]ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-[4-(dimethylamino)phenyl]ethyl]pyrrolidin-2-yl]methanol
PubChem CID69199684
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[(2R)-1-[2-[4-(dimethylamino)phenyl]ethyl]pyrrolidin-2-yl]methanol
SMILESCN(C)c1ccc(CCN2CCC[C@@H]2CO)cc1
InChIInChI=1S/C15H24N2O/c1-16(2)14-7-5-13(6-8-14)9-11-17-10-3-4-15(17)12-18/h5-8,15,18H,3-4,9-12H2,1-2H3/t15-/m1/s1
InChIKeyCYODRDNKVZQRNO-OAHLLOKOSA-N
XLogP1.75
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-[4-(dimethylamino)phenyl]ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-[4-(dimethylamino)phenyl]ethyl]pyrrolidin-2-yl]methanol (CID 69199684) is [(2R)-1-[2-[4-(dimethylamino)phenyl]ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-[4-(dimethylamino)phenyl]ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-[4-(dimethylamino)phenyl]ethyl]pyrrolidin-2-yl]methanol is CN(C)c1ccc(CCN2CCC[C@@H]2CO)cc1.
What is the InChIKey of [(2R)-1-[2-[4-(dimethylamino)phenyl]ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is CYODRDNKVZQRNO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16(2)14-7-5-13(6-8-14)9-11-17-10-3-4-15(17)12-18/h5-8,15,18H,3-4,9-12H2,1-2H3/t15-/m1/s1.
What are the key properties of [(2R)-1-[2-[4-(dimethylamino)phenyl]ethyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[2-[4-(dimethylamino)phenyl]ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 248.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[4-(dimethylamino)phenyl]ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 69199684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).