2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol

C14H21BrN2O — CID 82979557

IUPAC2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
SMILESCN(C)CC1CCCN1Cc1cccc(Br)c1O
InChIInChI=1S/C14H21BrN2O/c1-16(2)10-12-6-4-8-17(12)9-11-5-3-7-13(15)14(11)18/h3,5,7,12,18H,4,6,8-10H2,1-2H3
InChIKeyFUXHDDUGWADPRA-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.68
Rot. Bonds4

About 2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol

2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol (PubChem CID 82979557) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
PubChem CID82979557
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
SMILESCN(C)CC1CCCN1Cc1cccc(Br)c1O
InChIInChI=1S/C14H21BrN2O/c1-16(2)10-12-6-4-8-17(12)9-11-5-3-7-13(15)14(11)18/h3,5,7,12,18H,4,6,8-10H2,1-2H3
InChIKeyFUXHDDUGWADPRA-UHFFFAOYSA-N
XLogP2.68
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol 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

2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol
CID 83057106
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline
CID 62885023
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979279
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975855
2-bromo-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenol
CID 82982960
2-bromo-6-(pyrrolidin-1-ylmethyl)phenol
CID 78916446
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile
CID 62920268
[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol
CID 62887966
[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 62888648
6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridin-3-ol
CID 82980192
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 104808848
2-bromo-6-[(4-propan-2-ylazepan-1-yl)methyl]phenol
CID 82981234

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol?
The IUPAC name of 2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol (CID 82979557) is 2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol?
The canonical SMILES for 2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol is CN(C)CC1CCCN1Cc1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol?
The InChIKey is FUXHDDUGWADPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-16(2)10-12-6-4-8-17(12)9-11-5-3-7-13(15)14(11)18/h3,5,7,12,18H,4,6,8-10H2,1-2H3.
What are the key properties of 2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol?
2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol has a molecular weight of 313.24 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol is sourced from PubChem (CID 82979557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).