2-[2-(aminomethyl)pyrrolidin-2-yl]phenol

C11H16N2O — CID 115059279

IUPAC2-[2-(aminomethyl)pyrrolidin-2-yl]phenol
SMILESNCC1(c2ccccc2O)CCCN1
InChIInChI=1S/C11H16N2O/c12-8-11(6-3-7-13-11)9-4-1-2-5-10(9)14/h1-2,4-5,13-14H,3,6-8,12H2
InChIKeyVOFVZLDLMZAMQF-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.93
Rot. Bonds2

About 2-[2-(aminomethyl)pyrrolidin-2-yl]phenol

2-[2-(aminomethyl)pyrrolidin-2-yl]phenol (PubChem CID 115059279) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-2-yl]phenol
PubChem CID115059279
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-[2-(aminomethyl)pyrrolidin-2-yl]phenol
SMILESNCC1(c2ccccc2O)CCCN1
InChIInChI=1S/C11H16N2O/c12-8-11(6-3-7-13-11)9-4-1-2-5-10(9)14/h1-2,4-5,13-14H,3,6-8,12H2
InChIKeyVOFVZLDLMZAMQF-UHFFFAOYSA-N
XLogP0.93
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

[2-(2-chlorophenyl)azetidin-2-yl]methanamine
CID 115059255
[2-(2-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 115103415
2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid
CID 115103424
2-(2-fluorophenyl)-2-propylpyrrolidine
CID 66468299
[2-(4-methylphenyl)piperidin-2-yl]methanamine
CID 115059311
2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine
CID 117271928
2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol
CID 115063001
2-(2-bromophenyl)-2-ethylazepane
CID 115059389
2-(2,2-dimethylpropyl)-2-phenylpyrrolidine
CID 115058598
2-(2-phenylpyrrolidin-2-yl)acetaldehyde
CID 123138348
tert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate
CID 115059198
2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol
CID 115044146

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-2-yl]phenol?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-2-yl]phenol (CID 115059279) is 2-[2-(aminomethyl)pyrrolidin-2-yl]phenol.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-2-yl]phenol?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-2-yl]phenol is NCC1(c2ccccc2O)CCCN1.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-2-yl]phenol?
The InChIKey is VOFVZLDLMZAMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-8-11(6-3-7-13-11)9-4-1-2-5-10(9)14/h1-2,4-5,13-14H,3,6-8,12H2.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-2-yl]phenol?
2-[2-(aminomethyl)pyrrolidin-2-yl]phenol has a molecular weight of 192.26 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-2-yl]phenol is sourced from PubChem (CID 115059279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).