4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine

C19H22N2 — CID 122202658

IUPAC4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCC1CC(c2ccc(C)cc2)N=C1Nc1ccccc1
InChIInChI=1S/C19H22N2/c1-3-15-13-18(16-11-9-14(2)10-12-16)21-19(15)20-17-7-5-4-6-8-17/h4-12,15,18H,3,13H2,1-2H3,(H,20,21)
InChIKeyAVVJFXBOFSBNPU-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.98
Rot. Bonds3

About 4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine

4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 122202658) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID122202658
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCC1CC(c2ccc(C)cc2)N=C1Nc1ccccc1
InChIInChI=1S/C19H22N2/c1-3-15-13-18(16-11-9-14(2)10-12-16)21-19(15)20-17-7-5-4-6-8-17/h4-12,15,18H,3,13H2,1-2H3,(H,20,21)
InChIKeyAVVJFXBOFSBNPU-UHFFFAOYSA-N
XLogP4.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine (CID 122202658) is 4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine is CCC1CC(c2ccc(C)cc2)N=C1Nc1ccccc1.
What is the InChIKey of 4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is AVVJFXBOFSBNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-3-15-13-18(16-11-9-14(2)10-12-16)21-19(15)20-17-7-5-4-6-8-17/h4-12,15,18H,3,13H2,1-2H3,(H,20,21).
What are the key properties of 4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine?
4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 278.40 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 122202658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).