[1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol

C13H19BrN2O — CID 117012425

IUPAC[1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
SMILESCN(C)C1(CO)CCN(c2cccc(Br)c2)C1
InChIInChI=1S/C13H19BrN2O/c1-15(2)13(10-17)6-7-16(9-13)12-5-3-4-11(14)8-12/h3-5,8,17H,6-7,9-10H2,1-2H3
InChIKeyNPWZYVXHUIMIRH-UHFFFAOYSA-N
MW299.21 g/mol
LogP1.95
Rot. Bonds3

About [1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol

[1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol (PubChem CID 117012425) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is [1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
PubChem CID117012425
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name[1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
SMILESCN(C)C1(CO)CCN(c2cccc(Br)c2)C1
InChIInChI=1S/C13H19BrN2O/c1-15(2)13(10-17)6-7-16(9-13)12-5-3-4-11(14)8-12/h3-5,8,17H,6-7,9-10H2,1-2H3
InChIKeyNPWZYVXHUIMIRH-UHFFFAOYSA-N
XLogP1.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-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-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012414
[1-(4-bromo-3-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012428
[1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol
CID 117024971
[1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012409
2-[1-(3-bromophenyl)-3-methylpiperidin-3-yl]acetic acid
CID 117013353
2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid
CID 84612005
[1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012693
[1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012686
1-(3-bromophenyl)-3,3-difluoropyrrolidine;3,3-difluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine
CID 158435309
1-(3-bromophenyl)pyrrolidine
CID 7016459
1-(3-bromophenyl)-4,4-dimethylpiperidin-3-one
CID 117025219
[1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol
CID 117012349

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol (CID 117012425) is [1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol is CN(C)C1(CO)CCN(c2cccc(Br)c2)C1.
What is the InChIKey of [1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol?
The InChIKey is NPWZYVXHUIMIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-15(2)13(10-17)6-7-16(9-13)12-5-3-4-11(14)8-12/h3-5,8,17H,6-7,9-10H2,1-2H3.
What are the key properties of [1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol?
[1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol has a molecular weight of 299.21 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117012425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).