3-[(2-aminophenyl)methyl]pyrrolidin-3-ol

C11H16N2O — CID 105446228

IUPAC3-[(2-aminophenyl)methyl]pyrrolidin-3-ol
SMILESNc1ccccc1CC1(O)CCNC1
InChIInChI=1S/C11H16N2O/c12-10-4-2-1-3-9(10)7-11(14)5-6-13-8-11/h1-4,13-14H,5-8,12H2
InChIKeyHWAJNFKJKVANHZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.54
Rot. Bonds2

About 3-[(2-aminophenyl)methyl]pyrrolidin-3-ol

3-[(2-aminophenyl)methyl]pyrrolidin-3-ol (PubChem CID 105446228) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-[(2-aminophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(2-aminophenyl)methyl]pyrrolidin-3-ol
PubChem CID105446228
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-[(2-aminophenyl)methyl]pyrrolidin-3-ol
SMILESNc1ccccc1CC1(O)CCNC1
InChIInChI=1S/C11H16N2O/c12-10-4-2-1-3-9(10)7-11(14)5-6-13-8-11/h1-4,13-14H,5-8,12H2
InChIKeyHWAJNFKJKVANHZ-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(2-aminophenyl)methyl]thian-4-ol
CID 105481144
3-benzylpyrrolidin-3-ol;hydrochloride
CID 122508012
4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol
CID 105476182
2-[(1-fluorocyclopropyl)methyl]aniline
CID 84717042
3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol
CID 82920758
3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol
CID 79820158
3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride
CID 154924889
2-(3-hydroxypyrrolidin-3-yl)-N-phenylacetamide
CID 84724654
2-(3-fluoropyrrolidin-3-yl)aniline
CID 105438750
6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride
CID 68534671
3-[(4-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 83691018
3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol
CID 117103678

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(2-aminophenyl)methyl]pyrrolidin-3-ol (CID 105446228) is 3-[(2-aminophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(2-aminophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(2-aminophenyl)methyl]pyrrolidin-3-ol is Nc1ccccc1CC1(O)CCNC1.
What is the InChIKey of 3-[(2-aminophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is HWAJNFKJKVANHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-10-4-2-1-3-9(10)7-11(14)5-6-13-8-11/h1-4,13-14H,5-8,12H2.
What are the key properties of 3-[(2-aminophenyl)methyl]pyrrolidin-3-ol?
3-[(2-aminophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 192.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 105446228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).