4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine

C13H14Cl2N2 — CID 141172749

IUPAC4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine
SMILESCCN(C)c1c(-c2ccccc2)[nH]c(Cl)c1Cl
InChIInChI=1S/C13H14Cl2N2/c1-3-17(2)12-10(14)13(15)16-11(12)9-7-5-4-6-8-9/h4-8,16H,3H2,1-2H3
InChIKeyQBRSOJBPVDSEBV-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.44
Rot. Bonds3

About 4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine

4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine (PubChem CID 141172749) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine.

Molecular Properties

Compound Name4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine
PubChem CID141172749
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine
SMILESCCN(C)c1c(-c2ccccc2)[nH]c(Cl)c1Cl
InChIInChI=1S/C13H14Cl2N2/c1-3-17(2)12-10(14)13(15)16-11(12)9-7-5-4-6-8-9/h4-8,16H,3H2,1-2H3
InChIKeyQBRSOJBPVDSEBV-UHFFFAOYSA-N
XLogP4.44
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine?
The IUPAC name of 4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine (CID 141172749) is 4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine.
What is the SMILES notation for 4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine?
The canonical SMILES for 4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine is CCN(C)c1c(-c2ccccc2)[nH]c(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine?
The InChIKey is QBRSOJBPVDSEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-3-17(2)12-10(14)13(15)16-11(12)9-7-5-4-6-8-9/h4-8,16H,3H2,1-2H3.
What are the key properties of 4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine?
4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine has a molecular weight of 269.18 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine is sourced from PubChem (CID 141172749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).