4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline

C18H22N2 — CID 61263705

IUPAC4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline
SMILESCC(c1ccc(N)cc1)N1CCCC1c1ccccc1
InChIInChI=1S/C18H22N2/c1-14(15-9-11-17(19)12-10-15)20-13-5-8-18(20)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,18H,5,8,13,19H2,1H3
InChIKeyIEDCRQDRPKSBNC-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.17
Rot. Bonds3

About 4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline

4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline (PubChem CID 61263705) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline
PubChem CID61263705
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline
SMILESCC(c1ccc(N)cc1)N1CCCC1c1ccccc1
InChIInChI=1S/C18H22N2/c1-14(15-9-11-17(19)12-10-15)20-13-5-8-18(20)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,18H,5,8,13,19H2,1H3
InChIKeyIEDCRQDRPKSBNC-UHFFFAOYSA-N
XLogP4.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline 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

3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine
CID 101170650
(2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine
CID 118395762
(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618
1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol
CID 62266444
1-(3-methylbutan-2-yl)-2-phenylpiperidine
CID 175286836
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
CID 141339325
4-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]aniline
CID 82747100
1-butan-2-yl-2-phenylpiperidine
CID 167239134
4-[1-(2-phenylpyrrolidin-1-yl)propyl]phenol
CID 82959518
1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 54986110

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline?
The IUPAC name of 4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline (CID 61263705) is 4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline.
What is the SMILES notation for 4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline?
The canonical SMILES for 4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline is CC(c1ccc(N)cc1)N1CCCC1c1ccccc1.
What is the InChIKey of 4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline?
The InChIKey is IEDCRQDRPKSBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14(15-9-11-17(19)12-10-15)20-13-5-8-18(20)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,18H,5,8,13,19H2,1H3.
What are the key properties of 4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline?
4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline has a molecular weight of 266.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline is sourced from PubChem (CID 61263705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).