1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol

C15H23BrN2O — CID 103358583

IUPAC1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol
SMILESCNC(CCN1CCC(C)(O)C1)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-15(19)7-9-18(11-15)8-6-14(17-2)12-4-3-5-13(16)10-12/h3-5,10,14,17,19H,6-9,11H2,1-2H3
InChIKeyUZNKXMXTBMCADA-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.56
Rot. Bonds5

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

1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol (PubChem CID 103358583) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol
PubChem CID103358583
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol
SMILESCNC(CCN1CCC(C)(O)C1)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-15(19)7-9-18(11-15)8-6-14(17-2)12-4-3-5-13(16)10-12/h3-5,10,14,17,19H,6-9,11H2,1-2H3
InChIKeyUZNKXMXTBMCADA-UHFFFAOYSA-N
XLogP2.56
TPSA35.50 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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358505
1-(3-bromophenyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 62618370
1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 62612497
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-4-ol
CID 62614162
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 62618608
1-(3-bromophenyl)-3-(4-ethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62618283
1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103539152
1-(3-bromophenyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 62618049
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-bromophenyl)-N-methylpropan-1-amine
CID 79933548
1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 102967425
1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol
CID 103358555
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol
CID 81115500

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol (CID 103358583) is 1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol is CNC(CCN1CCC(C)(O)C1)c1cccc(Br)c1.
What is the InChIKey of 1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol?
The InChIKey is UZNKXMXTBMCADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-15(19)7-9-18(11-15)8-6-14(17-2)12-4-3-5-13(16)10-12/h3-5,10,14,17,19H,6-9,11H2,1-2H3.
What are the key properties of 1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol?
1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol has a molecular weight of 327.27 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103358583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).