(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine

C15H24N2O — CID 78937096

IUPAC(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C15H24N2O/c1-2-15(16)13-5-7-14(8-6-13)18-12-11-17-9-3-4-10-17/h5-8,15H,2-4,9-12,16H2,1H3/t15-/m0/s1
InChIKeyQWEOXBVVVNWOEX-HNNXBMFYSA-N
MW248.37 g/mol
LogP2.57
Rot. Bonds6

About (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine

(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine (PubChem CID 78937096) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
PubChem CID78937096
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C15H24N2O/c1-2-15(16)13-5-7-14(8-6-13)18-12-11-17-9-3-4-10-17/h5-8,15H,2-4,9-12,16H2,1H3/t15-/m0/s1
InChIKeyQWEOXBVVVNWOEX-HNNXBMFYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine 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

(2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 66515465
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol
CID 78933445
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
CID 161147503
CID 161147503
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid
CID 2923057
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine (CID 78937096) is (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine is CC[C@H](N)c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine?
The InChIKey is QWEOXBVVVNWOEX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-15(16)13-5-7-14(8-6-13)18-12-11-17-9-3-4-10-17/h5-8,15H,2-4,9-12,16H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine?
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 78937096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).