1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine

C17H26BrN3 — CID 79165611

IUPAC1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine
SMILESCC(N)C(c1ccccc1Br)N1CCC2CCC(C1)N2C
InChIInChI=1S/C17H26BrN3/c1-12(19)17(15-5-3-4-6-16(15)18)21-10-9-13-7-8-14(11-21)20(13)2/h3-6,12-14,17H,7-11,19H2,1-2H3
InChIKeyZUQBHXCZSRPITC-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.01
Rot. Bonds3

About 1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine

1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine (PubChem CID 79165611) has the molecular formula C17H26BrN3 and a molecular weight of 352.32 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine
PubChem CID79165611
Molecular FormulaC17H26BrN3
Molecular Weight352.32 g/mol
Exact Mass351.13
IUPAC Name1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine
SMILESCC(N)C(c1ccccc1Br)N1CCC2CCC(C1)N2C
InChIInChI=1S/C17H26BrN3/c1-12(19)17(15-5-3-4-6-16(15)18)21-10-9-13-7-8-14(11-21)20(13)2/h3-6,12-14,17H,7-11,19H2,1-2H3
InChIKeyZUQBHXCZSRPITC-UHFFFAOYSA-N
XLogP3.01
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine (CID 79165611) is 1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine is CC(N)C(c1ccccc1Br)N1CCC2CCC(C1)N2C.
What is the InChIKey of 1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine?
The InChIKey is ZUQBHXCZSRPITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3/c1-12(19)17(15-5-3-4-6-16(15)18)21-10-9-13-7-8-14(11-21)20(13)2/h3-6,12-14,17H,7-11,19H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine?
1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine has a molecular weight of 352.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine is sourced from PubChem (CID 79165611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).