2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone

C17H24N2O2 — CID 126426546

IUPAC2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone
SMILESCC(C)[C@H]1C=CCN1C(=O)Cc1ccc(OCCN)cc1
InChIInChI=1S/C17H24N2O2/c1-13(2)16-4-3-10-19(16)17(20)12-14-5-7-15(8-6-14)21-11-9-18/h3-8,13,16H,9-12,18H2,1-2H3/t16-/m1/s1
InChIKeyPFBLTVKLAVEKPE-MRXNPFEDSA-N
MW288.39 g/mol
LogP1.99
Rot. Bonds6

About 2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone

2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone (PubChem CID 126426546) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone
PubChem CID126426546
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone
SMILESCC(C)[C@H]1C=CCN1C(=O)Cc1ccc(OCCN)cc1
InChIInChI=1S/C17H24N2O2/c1-13(2)16-4-3-10-19(16)17(20)12-14-5-7-15(8-6-14)21-11-9-18/h3-8,13,16H,9-12,18H2,1-2H3/t16-/m1/s1
InChIKeyPFBLTVKLAVEKPE-MRXNPFEDSA-N
XLogP1.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 118794776
2-[4-(2-methylpropyl)phenoxy]ethanamine
CID 96670599
ethyl 2-[4-(5-aminopentoxy)phenyl]acetate
CID 162639944
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 102783606
(3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one
CID 126430821
ethyl 2-[4-(3-aminopropoxy)phenyl]acetate
CID 162639938
2-[4-(3-methylbutoxy)phenyl]acetate
CID 6947053
2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine
CID 79686885
2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone
CID 82250736
ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride
CID 162639918
(2S)-2-amino-5-[(2R,4R)-4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-2-methylpyrrolidin-1-yl]-5-oxopentanoic acid
CID 118243632
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone?
The IUPAC name of 2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone (CID 126426546) is 2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone.
What is the SMILES notation for 2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone?
The canonical SMILES for 2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone is CC(C)[C@H]1C=CCN1C(=O)Cc1ccc(OCCN)cc1.
What is the InChIKey of 2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone?
The InChIKey is PFBLTVKLAVEKPE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)16-4-3-10-19(16)17(20)12-14-5-7-15(8-6-14)21-11-9-18/h3-8,13,16H,9-12,18H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone?
2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone is sourced from PubChem (CID 126426546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).