1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol

C14H21BrN2O — CID 103358555

IUPAC1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CCC(N)c2ccc(Br)cc2)C1
InChIInChI=1S/C14H21BrN2O/c1-14(18)7-9-17(10-14)8-6-13(16)11-2-4-12(15)5-3-11/h2-5,13,18H,6-10,16H2,1H3
InChIKeyFMYHBMFDMCRHBI-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.30
Rot. Bonds4

About 1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol

1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol (PubChem CID 103358555) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol
PubChem CID103358555
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CCC(N)c2ccc(Br)cc2)C1
InChIInChI=1S/C14H21BrN2O/c1-14(18)7-9-17(10-14)8-6-13(16)11-2-4-12(15)5-3-11/h2-5,13,18H,6-10,16H2,1H3
InChIKeyFMYHBMFDMCRHBI-UHFFFAOYSA-N
XLogP2.30
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62932000
1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102745806
1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81116508
1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358583
1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine
CID 62619615
1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81115610
1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81114930
1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358505
1-(4-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 62619055
2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800186
3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 65281721
[1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789594

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol (CID 103358555) is 1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(CCC(N)c2ccc(Br)cc2)C1.
What is the InChIKey of 1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol?
The InChIKey is FMYHBMFDMCRHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-14(18)7-9-17(10-14)8-6-13(16)11-2-4-12(15)5-3-11/h2-5,13,18H,6-10,16H2,1H3.
What are the key properties of 1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol?
1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol has a molecular weight of 313.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103358555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).