3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol

C13H20N2O — CID 115311592

IUPAC3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
SMILESCC(c1cccc(O)c1)N1CCCC1CN
InChIInChI=1S/C13H20N2O/c1-10(11-4-2-6-13(16)8-11)15-7-3-5-12(15)9-14/h2,4,6,8,10,12,16H,3,5,7,9,14H2,1H3
InChIKeyMNFPZLPIPFUVSG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.88
Rot. Bonds3

About 3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol

3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol (PubChem CID 115311592) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
PubChem CID115311592
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
SMILESCC(c1cccc(O)c1)N1CCCC1CN
InChIInChI=1S/C13H20N2O/c1-10(11-4-2-6-13(16)8-11)15-7-3-5-12(15)9-14/h2,4,6,8,10,12,16H,3,5,7,9,14H2,1H3
InChIKeyMNFPZLPIPFUVSG-UHFFFAOYSA-N
XLogP1.88
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol 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-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65068061
3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol
CID 112621904
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol
CID 113284221
3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55075970
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606
[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 129427489
3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol
CID 62068559
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol?
The IUPAC name of 3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol (CID 115311592) is 3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol.
What is the SMILES notation for 3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol?
The canonical SMILES for 3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol is CC(c1cccc(O)c1)N1CCCC1CN.
What is the InChIKey of 3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol?
The InChIKey is MNFPZLPIPFUVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(11-4-2-6-13(16)8-11)15-7-3-5-12(15)9-14/h2,4,6,8,10,12,16H,3,5,7,9,14H2,1H3.
What are the key properties of 3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol?
3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol has a molecular weight of 220.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol is sourced from PubChem (CID 115311592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).