N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine

C12H16N2 — CID 2999954

IUPACN-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(NC1=NCCC1)c1ccccc1
InChIInChI=1S/C12H16N2/c1-10(11-6-3-2-4-7-11)14-12-8-5-9-13-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,13,14)
InChIKeyWXMWYKHNRNMBOA-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.53
Rot. Bonds2

About N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 2999954) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID2999954
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(NC1=NCCC1)c1ccccc1
InChIInChI=1S/C12H16N2/c1-10(11-6-3-2-4-7-11)14-12-8-5-9-13-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,13,14)
InChIKeyWXMWYKHNRNMBOA-UHFFFAOYSA-N
XLogP2.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 2999954) is N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine is CC(NC1=NCCC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is WXMWYKHNRNMBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10(11-6-3-2-4-7-11)14-12-8-5-9-13-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,13,14).
What are the key properties of N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 188.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 2999954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).