N-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine

C12H17N3 — CID 115023155

IUPACN-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESNCCc1ccc(NC2=NCCC2)cc1
InChIInChI=1S/C12H17N3/c13-8-7-10-3-5-11(6-4-10)15-12-2-1-9-14-12/h3-6H,1-2,7-9,13H2,(H,14,15)
InChIKeyPYNGDVAECFEULS-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.79
Rot. Bonds3

About N-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 115023155) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID115023155
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESNCCc1ccc(NC2=NCCC2)cc1
InChIInChI=1S/C12H17N3/c13-8-7-10-3-5-11(6-4-10)15-12-2-1-9-14-12/h3-6H,1-2,7-9,13H2,(H,14,15)
InChIKeyPYNGDVAECFEULS-UHFFFAOYSA-N
XLogP1.79
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 115023155) is N-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine is NCCc1ccc(NC2=NCCC2)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is PYNGDVAECFEULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c13-8-7-10-3-5-11(6-4-10)15-12-2-1-9-14-12/h3-6H,1-2,7-9,13H2,(H,14,15).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 203.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 115023155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).