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

C12H16N2O — CID 2100861

IUPACN-(2-ethoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCOc1ccccc1NC1=NCCC1
InChIInChI=1S/C12H16N2O/c1-2-15-11-7-4-3-6-10(11)14-12-8-5-9-13-12/h3-4,6-7H,2,5,8-9H2,1H3,(H,13,14)
InChIKeyWPGSMSNHAMZINK-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.69
Rot. Bonds3

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

N-(2-ethoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 2100861) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID2100861
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(2-ethoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCOc1ccccc1NC1=NCCC1
InChIInChI=1S/C12H16N2O/c1-2-15-11-7-4-3-6-10(11)14-12-8-5-9-13-12/h3-4,6-7H,2,5,8-9H2,1H3,(H,13,14)
InChIKeyWPGSMSNHAMZINK-UHFFFAOYSA-N
XLogP2.69
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(2-ethoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 2100861) is N-(2-ethoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine is CCOc1ccccc1NC1=NCCC1.
What is the InChIKey of N-(2-ethoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is WPGSMSNHAMZINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-15-11-7-4-3-6-10(11)14-12-8-5-9-13-12/h3-4,6-7H,2,5,8-9H2,1H3,(H,13,14).
What are the key properties of N-(2-ethoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(2-ethoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 204.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 2100861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).