[1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol

C15H23BrN2O — CID 102789594

IUPAC[1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CCC(N)c2ccc(Br)cc2)C1CO
InChIInChI=1S/C15H23BrN2O/c1-11-6-8-18(15(11)10-19)9-7-14(17)12-2-4-13(16)5-3-12/h2-5,11,14-15,19H,6-10,17H2,1H3
InChIKeyONLASEQJBLIRCL-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.54
Rot. Bonds5

About [1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol

[1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789594) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is [1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789594
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name[1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CCC(N)c2ccc(Br)cc2)C1CO
InChIInChI=1S/C15H23BrN2O/c1-11-6-8-18(15(11)10-19)9-7-14(17)12-2-4-13(16)5-3-12/h2-5,11,14-15,19H,6-10,17H2,1H3
InChIKeyONLASEQJBLIRCL-UHFFFAOYSA-N
XLogP2.54
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-amino-3-(2-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789551
[1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789596
N-[1-(4-bromophenyl)ethyl]-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788189
2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800186
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
CID 102789664
[1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789593
1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62932000
1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine
CID 62619615
[3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol
CID 102789795
[1-(2-fluoroethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102787851
[1-[(3-amino-5-bromophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 103350027
1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol
CID 103358555

Frequently Asked Questions

What is the IUPAC name of [1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol (CID 102789594) is [1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(CCC(N)c2ccc(Br)cc2)C1CO.
What is the InChIKey of [1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is ONLASEQJBLIRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11-6-8-18(15(11)10-19)9-7-14(17)12-2-4-13(16)5-3-12/h2-5,11,14-15,19H,6-10,17H2,1H3.
What are the key properties of [1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 327.27 g/mol, XLogP of 2.54, 5 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-2-yl]methanol is sourced from PubChem (CID 102789594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).