3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol

C11H15ClN2O — CID 115035884

IUPAC3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol
SMILESNCC1(O)CCN(c2ccccc2Cl)C1
InChIInChI=1S/C11H15ClN2O/c12-9-3-1-2-4-10(9)14-6-5-11(15,7-13)8-14/h1-4,15H,5-8,13H2
InChIKeyHFORMEAPKCTAMG-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.24
Rot. Bonds2

About 3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol

3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol (PubChem CID 115035884) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol
PubChem CID115035884
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol
SMILESNCC1(O)CCN(c2ccccc2Cl)C1
InChIInChI=1S/C11H15ClN2O/c12-9-3-1-2-4-10(9)14-6-5-11(15,7-13)8-14/h1-4,15H,5-8,13H2
InChIKeyHFORMEAPKCTAMG-UHFFFAOYSA-N
XLogP1.24
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 117012477
4-(aminomethyl)-1-(2-hydroxyphenyl)piperidin-4-ol
CID 115033365
3-(aminomethyl)-1-(2-methylphenyl)piperidin-3-ol
CID 115032266
4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol
CID 82286374
3-(aminomethyl)-1-pyridin-2-ylpyrrolidin-3-ol
CID 175660643
3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 117011902
[1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine
CID 62262521
[1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024878
[1-(2-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012684
(5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane
CID 96706336
[1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol
CID 117012056
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol?
The IUPAC name of 3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol (CID 115035884) is 3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol is NCC1(O)CCN(c2ccccc2Cl)C1.
What is the InChIKey of 3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol?
The InChIKey is HFORMEAPKCTAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-9-3-1-2-4-10(9)14-6-5-11(15,7-13)8-14/h1-4,15H,5-8,13H2.
What are the key properties of 3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol?
3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol has a molecular weight of 226.71 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 115035884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).