1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol

C14H20BrNO — CID 82971232

IUPAC1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1N1CC(C)C(C)C1
InChIInChI=1S/C14H20BrNO/c1-9-7-16(8-10(9)2)14-5-4-12(15)6-13(14)11(3)17/h4-6,9-11,17H,7-8H2,1-3H3
InChIKeyBRIJHADDAYWEMB-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.59
Rot. Bonds2

About 1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol

1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol (PubChem CID 82971232) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol
PubChem CID82971232
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1N1CC(C)C(C)C1
InChIInChI=1S/C14H20BrNO/c1-9-7-16(8-10(9)2)14-5-4-12(15)6-13(14)11(3)17/h4-6,9-11,17H,7-8H2,1-3H3
InChIKeyBRIJHADDAYWEMB-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol 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-[5-bromo-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 82969968
1-[5-bromo-2-(4-methylazepan-1-yl)phenyl]ethanol
CID 82970945
1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol
CID 82970507
(1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol
CID 79188358
1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol
CID 82970943
1-[2-(1-aminoethyl)-4-bromophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 82968401
1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol
CID 82958133
1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide
CID 82969745
5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)benzoic acid
CID 114895877
1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
CID 79188918
1-[5-bromo-2-(2-methylazepan-1-yl)phenyl]ethanol
CID 82970582
2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
CID 82970279

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol (CID 82971232) is 1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol is CC(O)c1cc(Br)ccc1N1CC(C)C(C)C1.
What is the InChIKey of 1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol?
The InChIKey is BRIJHADDAYWEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9-7-16(8-10(9)2)14-5-4-12(15)6-13(14)11(3)17/h4-6,9-11,17H,7-8H2,1-3H3.
What are the key properties of 1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol?
1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol has a molecular weight of 298.22 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 82971232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).