1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine

C15H24BrN3 — CID 105404983

IUPAC1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccc(C(CN)N2CCC(N(C)C)C2)cc1Br
InChIInChI=1S/C15H24BrN3/c1-11-4-5-12(8-14(11)16)15(9-17)19-7-6-13(10-19)18(2)3/h4-5,8,13,15H,6-7,9-10,17H2,1-3H3
InChIKeyCJCYYPIJSNVKCE-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.39
Rot. Bonds4

About 1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 105404983) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID105404983
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccc(C(CN)N2CCC(N(C)C)C2)cc1Br
InChIInChI=1S/C15H24BrN3/c1-11-4-5-12(8-14(11)16)15(9-17)19-7-6-13(10-19)18(2)3/h4-5,8,13,15H,6-7,9-10,17H2,1-3H3
InChIKeyCJCYYPIJSNVKCE-UHFFFAOYSA-N
XLogP2.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166318
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 105405028
2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
CID 105405193
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586275
1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166554
1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585829
1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166417
1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine
CID 115524400
2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 66472651
2-(4-bromo-3-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 66479758
2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103531609
1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166284

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 105404983) is 1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine is Cc1ccc(C(CN)N2CCC(N(C)C)C2)cc1Br.
What is the InChIKey of 1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is CJCYYPIJSNVKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-11-4-5-12(8-14(11)16)15(9-17)19-7-6-13(10-19)18(2)3/h4-5,8,13,15H,6-7,9-10,17H2,1-3H3.
What are the key properties of 1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 326.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 105404983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).