(1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol

C14H20ClNO — CID 78941205

IUPAC(1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N2CCCC2(C)C)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-10(17)11-5-6-13(12(15)9-11)16-8-4-7-14(16,2)3/h5-6,9-10,17H,4,7-8H2,1-3H3/t10-/m1/s1
InChIKeyXUHRTGVJJJNQFQ-SNVBAGLBSA-N
MW253.77 g/mol
LogP3.77
Rot. Bonds2

About (1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol

(1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol (PubChem CID 78941205) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol
PubChem CID78941205
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N2CCCC2(C)C)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-10(17)11-5-6-13(12(15)9-11)16-8-4-7-14(16,2)3/h5-6,9-10,17H,4,7-8H2,1-3H3/t10-/m1/s1
InChIKeyXUHRTGVJJJNQFQ-SNVBAGLBSA-N
XLogP3.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[3-chloro-4-(4,4-dimethylazepan-1-yl)phenyl]ethanol
CID 65282858
1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 81166004
1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]ethanol
CID 55161928
1-[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836525
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836509
1-[3-chloro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanol
CID 62908706
(1R)-1-[4-(4-tert-butylazepan-1-yl)-3-chlorophenyl]ethanol
CID 78992789
(1S)-1-[3-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]ethanol
CID 103535462
(1S)-1-[3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 78940987
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909724
(1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
CID 78939185
(1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
CID 78939334

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol (CID 78941205) is (1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol is C[C@@H](O)c1ccc(N2CCCC2(C)C)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol?
The InChIKey is XUHRTGVJJJNQFQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(17)11-5-6-13(12(15)9-11)16-8-4-7-14(16,2)3/h5-6,9-10,17H,4,7-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol?
(1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol has a molecular weight of 253.77 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 78941205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).