1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol

C11H15ClN2O — CID 62941868

IUPAC1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol
SMILESNc1cc(Cl)ccc1CN1CCC(O)C1
InChIInChI=1S/C11H15ClN2O/c12-9-2-1-8(11(13)5-9)6-14-4-3-10(15)7-14/h1-2,5,10,15H,3-4,6-7,13H2
InChIKeyBLHSGCNPRSJXTC-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.49
Rot. Bonds2

About 1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol

1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol (PubChem CID 62941868) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol
PubChem CID62941868
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol
SMILESNc1cc(Cl)ccc1CN1CCC(O)C1
InChIInChI=1S/C11H15ClN2O/c12-9-2-1-8(11(13)5-9)6-14-4-3-10(15)7-14/h1-2,5,10,15H,3-4,6-7,13H2
InChIKeyBLHSGCNPRSJXTC-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]aniline
CID 79187911
1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol
CID 62941685
5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 62100073
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 105357465
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol
CID 62943367
1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol
CID 18672299
(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103663267
(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 78963344
3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
CID 43375553
3-chloro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 102667905
3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 79031716
4-fluoro-3-[(3-hydroxypyrrolidin-1-yl)methyl]benzoic acid
CID 107452258

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol (CID 62941868) is 1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol is Nc1cc(Cl)ccc1CN1CCC(O)C1.
What is the InChIKey of 1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is BLHSGCNPRSJXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-9-2-1-8(11(13)5-9)6-14-4-3-10(15)7-14/h1-2,5,10,15H,3-4,6-7,13H2.
What are the key properties of 1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol?
1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 226.71 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62941868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).