1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine

C13H18Br2N2O — CID 103414484

IUPAC1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(c2cc(OC)c(Br)cc2Br)C1
InChIInChI=1S/C13H18Br2N2O/c1-3-16-9-4-5-17(8-9)12-7-13(18-2)11(15)6-10(12)14/h6-7,9,16H,3-5,8H2,1-2H3
InChIKeyKYEJRIVQKOLETE-UHFFFAOYSA-N
MW378.11 g/mol
LogP3.41
Rot. Bonds4

About 1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine

1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine (PubChem CID 103414484) has the molecular formula C13H18Br2N2O and a molecular weight of 378.11 g/mol. Its IUPAC name is 1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine
PubChem CID103414484
Molecular FormulaC13H18Br2N2O
Molecular Weight378.11 g/mol
Exact Mass375.98
IUPAC Name1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(c2cc(OC)c(Br)cc2Br)C1
InChIInChI=1S/C13H18Br2N2O/c1-3-16-9-4-5-17(8-9)12-7-13(18-2)11(15)6-10(12)14/h6-7,9,16H,3-5,8H2,1-2H3
InChIKeyKYEJRIVQKOLETE-UHFFFAOYSA-N
XLogP3.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.11
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine
CID 103414445
N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine
CID 54967543
1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine
CID 103414479
1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one
CID 103416948
1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine
CID 81288727
N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine
CID 54967542
1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine
CID 107613078
1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine
CID 103480318
1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine
CID 107636369
N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine
CID 43315198
1-(2-bromophenyl)-N-ethylpiperidin-4-amine
CID 60862139
1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one
CID 103414426

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine?
The IUPAC name of 1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine (CID 103414484) is 1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine is CCNC1CCN(c2cc(OC)c(Br)cc2Br)C1.
What is the InChIKey of 1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine?
The InChIKey is KYEJRIVQKOLETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O/c1-3-16-9-4-5-17(8-9)12-7-13(18-2)11(15)6-10(12)14/h6-7,9,16H,3-5,8H2,1-2H3.
What are the key properties of 1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine?
1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine has a molecular weight of 378.11 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 103414484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).