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

C17H27BrN2O — CID 103358505

IUPAC1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol
SMILESCCCNC(CCN1CCC(C)(O)C1)c1cccc(Br)c1
InChIInChI=1S/C17H27BrN2O/c1-3-9-19-16(14-5-4-6-15(18)12-14)7-10-20-11-8-17(2,21)13-20/h4-6,12,16,19,21H,3,7-11,13H2,1-2H3
InChIKeyFARBCNARQZGUAY-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.34
Rot. Bonds7

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

1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol (PubChem CID 103358505) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol
PubChem CID103358505
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol
SMILESCCCNC(CCN1CCC(C)(O)C1)c1cccc(Br)c1
InChIInChI=1S/C17H27BrN2O/c1-3-9-19-16(14-5-4-6-15(18)12-14)7-10-20-11-8-17(2,21)13-20/h4-6,12,16,19,21H,3,7-11,13H2,1-2H3
InChIKeyFARBCNARQZGUAY-UHFFFAOYSA-N
XLogP3.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358583
1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol
CID 103358486
1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358518
1-(3-bromophenyl)-N-propyldecan-1-amine
CID 63413098
1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 55094941
1-(3-bromophenyl)-N-propylhex-4-yn-1-amine
CID 113455212
1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol
CID 106674181
1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 62612497
1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol
CID 103358509
1-(3-bromophenyl)-N-propylbut-3-yn-1-amine
CID 62235331
1-(3-bromophenyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 62618370
1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 63494166

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol (CID 103358505) is 1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol is CCCNC(CCN1CCC(C)(O)C1)c1cccc(Br)c1.
What is the InChIKey of 1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol?
The InChIKey is FARBCNARQZGUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-3-9-19-16(14-5-4-6-15(18)12-14)7-10-20-11-8-17(2,21)13-20/h4-6,12,16,19,21H,3,7-11,13H2,1-2H3.
What are the key properties of 1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol?
1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol has a molecular weight of 355.32 g/mol, XLogP of 3.34, 7 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-(propylamino)propyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103358505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).