1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine

C12H18BrN3 — CID 114869616

IUPAC1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
SMILESCc1cc(N2CCC(C(C)N)C2)ncc1Br
InChIInChI=1S/C12H18BrN3/c1-8-5-12(15-6-11(8)13)16-4-3-10(7-16)9(2)14/h5-6,9-10H,3-4,7,14H2,1-2H3
InChIKeyIEXCRNDMNVNOGO-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.33
Rot. Bonds2

About 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine

1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine (PubChem CID 114869616) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
PubChem CID114869616
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
SMILESCc1cc(N2CCC(C(C)N)C2)ncc1Br
InChIInChI=1S/C12H18BrN3/c1-8-5-12(15-6-11(8)13)16-4-3-10(7-16)9(2)14/h5-6,9-10H,3-4,7,14H2,1-2H3
InChIKeyIEXCRNDMNVNOGO-UHFFFAOYSA-N
XLogP2.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[4-(1-bromoethyl)piperidin-1-yl]-4-methylpyridine
CID 106838653
1-[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 103976623
1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine
CID 114869588
1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976631
5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine
CID 133403306
5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine
CID 114869912
[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135345504
N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
CID 114869508
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
1-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976873
1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 114869038
1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine
CID 107110322

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine (CID 114869616) is 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine is Cc1cc(N2CCC(C(C)N)C2)ncc1Br.
What is the InChIKey of 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is IEXCRNDMNVNOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-8-5-12(15-6-11(8)13)16-4-3-10(7-16)9(2)14/h5-6,9-10H,3-4,7,14H2,1-2H3.
What are the key properties of 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine?
1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 284.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 114869616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).