N'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine

C12H15N3 — CID 84670175

IUPACN'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine
SMILESNCCNc1ccc(-n2cccc2)cc1
InChIInChI=1S/C12H15N3/c13-7-8-14-11-3-5-12(6-4-11)15-9-1-2-10-15/h1-6,9-10,14H,7-8,13H2
InChIKeyPMJUZVQPNJVMGD-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.85
Rot. Bonds4

About N'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine

N'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine (PubChem CID 84670175) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine
PubChem CID84670175
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine
SMILESNCCNc1ccc(-n2cccc2)cc1
InChIInChI=1S/C12H15N3/c13-7-8-14-11-3-5-12(6-4-11)15-9-1-2-10-15/h1-6,9-10,14H,7-8,13H2
InChIKeyPMJUZVQPNJVMGD-UHFFFAOYSA-N
XLogP1.85
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine (CID 84670175) is N'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine is NCCNc1ccc(-n2cccc2)cc1.
What is the InChIKey of N'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine?
The InChIKey is PMJUZVQPNJVMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c13-7-8-14-11-3-5-12(6-4-11)15-9-1-2-10-15/h1-6,9-10,14H,7-8,13H2.
What are the key properties of N'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine?
N'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine has a molecular weight of 201.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 84670175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).