1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol

C11H16N2O — CID 53408245

IUPAC1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol
SMILESNCc1ccccc1N1CCC(O)C1
InChIInChI=1S/C11H16N2O/c12-7-9-3-1-2-4-11(9)13-6-5-10(14)8-13/h1-4,10,14H,5-8,12H2
InChIKeyLTBPBFJZHZJYOR-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.72
Rot. Bonds2

About 1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol

1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol (PubChem CID 53408245) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol
PubChem CID53408245
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol
SMILESNCc1ccccc1N1CCC(O)C1
InChIInChI=1S/C11H16N2O/c12-7-9-3-1-2-4-11(9)13-6-5-10(14)8-13/h1-4,10,14H,5-8,12H2
InChIKeyLTBPBFJZHZJYOR-UHFFFAOYSA-N
XLogP0.72
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol (CID 53408245) is 1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol is NCc1ccccc1N1CCC(O)C1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is LTBPBFJZHZJYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-7-9-3-1-2-4-11(9)13-6-5-10(14)8-13/h1-4,10,14H,5-8,12H2.
What are the key properties of 1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol?
1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 192.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 53408245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).