2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine

C14H21BrN2 — CID 66478713

IUPAC2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine
SMILESCCCN1CCC(N)C1c1ccc(Br)c(C)c1
InChIInChI=1S/C14H21BrN2/c1-3-7-17-8-6-13(16)14(17)11-4-5-12(15)10(2)9-11/h4-5,9,13-14H,3,6-8,16H2,1-2H3
InChIKeyBCMQOLLMMNIYOL-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine

2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine (PubChem CID 66478713) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine
PubChem CID66478713
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine
SMILESCCCN1CCC(N)C1c1ccc(Br)c(C)c1
InChIInChI=1S/C14H21BrN2/c1-3-7-17-8-6-13(16)14(17)11-4-5-12(15)10(2)9-11/h4-5,9,13-14H,3,6-8,16H2,1-2H3
InChIKeyBCMQOLLMMNIYOL-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine?
The IUPAC name of 2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine (CID 66478713) is 2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine.
What is the SMILES notation for 2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine?
The canonical SMILES for 2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine is CCCN1CCC(N)C1c1ccc(Br)c(C)c1.
What is the InChIKey of 2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine?
The InChIKey is BCMQOLLMMNIYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-3-7-17-8-6-13(16)14(17)11-4-5-12(15)10(2)9-11/h4-5,9,13-14H,3,6-8,16H2,1-2H3.
What are the key properties of 2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine?
2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine has a molecular weight of 297.24 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine is sourced from PubChem (CID 66478713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).