[1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol

C14H20BrNO — CID 75386168

IUPAC[1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol
SMILESCCC(c1ccc(Br)cc1)N1CCC(CO)C1
InChIInChI=1S/C14H20BrNO/c1-2-14(12-3-5-13(15)6-4-12)16-8-7-11(9-16)10-17/h3-6,11,14,17H,2,7-10H2,1H3
InChIKeyOOWRXTQXBIGFMF-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.21
Rot. Bonds4

About [1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol

[1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol (PubChem CID 75386168) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is [1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol
PubChem CID75386168
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name[1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol
SMILESCCC(c1ccc(Br)cc1)N1CCC(CO)C1
InChIInChI=1S/C14H20BrNO/c1-2-14(12-3-5-13(15)6-4-12)16-8-7-11(9-16)10-17/h3-6,11,14,17H,2,7-10H2,1H3
InChIKeyOOWRXTQXBIGFMF-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[1-(4-bromophenyl)propyl]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

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol (CID 75386168) is [1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol is CCC(c1ccc(Br)cc1)N1CCC(CO)C1.
What is the InChIKey of [1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol?
The InChIKey is OOWRXTQXBIGFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-14(12-3-5-13(15)6-4-12)16-8-7-11(9-16)10-17/h3-6,11,14,17H,2,7-10H2,1H3.
What are the key properties of [1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol?
[1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol has a molecular weight of 298.22 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 75386168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).