1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine

C14H21BrN2 — CID 81288727

IUPAC1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(c2ccc(Br)cc2CC)C1
InChIInChI=1S/C14H21BrN2/c1-3-11-9-12(15)5-6-14(11)17-8-7-13(10-17)16-4-2/h5-6,9,13,16H,3-4,7-8,10H2,1-2H3
InChIKeyRLXNOQAOBMTRPG-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.20
Rot. Bonds4

About 1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine

1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine (PubChem CID 81288727) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine
PubChem CID81288727
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(c2ccc(Br)cc2CC)C1
InChIInChI=1S/C14H21BrN2/c1-3-11-9-12(15)5-6-14(11)17-8-7-13(10-17)16-4-2/h5-6,9,13,16H,3-4,7-8,10H2,1-2H3
InChIKeyRLXNOQAOBMTRPG-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine (CID 81288727) is 1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine is CCNC1CCN(c2ccc(Br)cc2CC)C1.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine?
The InChIKey is RLXNOQAOBMTRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-3-11-9-12(15)5-6-14(11)17-8-7-13(10-17)16-4-2/h5-6,9,13,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine?
1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine has a molecular weight of 297.24 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 81288727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).