1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol

C13H20N2O2 — CID 62943937

IUPAC1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
SMILESNCc1ccc(OCCN2CCC(O)C2)cc1
InChIInChI=1S/C13H20N2O2/c14-9-11-1-3-13(4-2-11)17-8-7-15-6-5-12(16)10-15/h1-4,12,16H,5-10,14H2
InChIKeyNFGWCAPPRDPNCH-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.59
Rot. Bonds5

About 1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol

1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol (PubChem CID 62943937) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
PubChem CID62943937
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
SMILESNCc1ccc(OCCN2CCC(O)C2)cc1
InChIInChI=1S/C13H20N2O2/c14-9-11-1-3-13(4-2-11)17-8-7-15-6-5-12(16)10-15/h1-4,12,16H,5-10,14H2
InChIKeyNFGWCAPPRDPNCH-UHFFFAOYSA-N
XLogP0.59
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol 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

1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62941147
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166233
4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 78962070
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167098
[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
CID 102956615
[4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholin-2-yl]methanol
CID 81202906
1-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943590
1-[2-[4-(hydroxymethyl)phenoxy]ethyl]pyrrolidin-3-ol;trifluoromethoxybenzene
CID 145415282
1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol
CID 60644915
(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 107225998
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide
CID 43576087

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol (CID 62943937) is 1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol is NCc1ccc(OCCN2CCC(O)C2)cc1.
What is the InChIKey of 1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol?
The InChIKey is NFGWCAPPRDPNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-9-11-1-3-13(4-2-11)17-8-7-15-6-5-12(16)10-15/h1-4,12,16H,5-10,14H2.
What are the key properties of 1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol?
1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol has a molecular weight of 236.31 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 62943937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).