1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol

C15H22BrNO — CID 79184405

IUPAC1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol
SMILESCC1CN(CCC(O)c2ccccc2Br)CC1C
InChIInChI=1S/C15H22BrNO/c1-11-9-17(10-12(11)2)8-7-15(18)13-5-3-4-6-14(13)16/h3-6,11-12,15,18H,7-10H2,1-2H3
InChIKeyUGXWYZMIBWJMBI-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.46
Rot. Bonds4

About 1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol

1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol (PubChem CID 79184405) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol
PubChem CID79184405
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol
SMILESCC1CN(CCC(O)c2ccccc2Br)CC1C
InChIInChI=1S/C15H22BrNO/c1-11-9-17(10-12(11)2)8-7-15(18)13-5-3-4-6-14(13)16/h3-6,11-12,15,18H,7-10H2,1-2H3
InChIKeyUGXWYZMIBWJMBI-UHFFFAOYSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol?
The IUPAC name of 1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol (CID 79184405) is 1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol is CC1CN(CCC(O)c2ccccc2Br)CC1C.
What is the InChIKey of 1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol?
The InChIKey is UGXWYZMIBWJMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11-9-17(10-12(11)2)8-7-15(18)13-5-3-4-6-14(13)16/h3-6,11-12,15,18H,7-10H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol?
1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol has a molecular weight of 312.25 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol is sourced from PubChem (CID 79184405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).