1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol

C11H15ClN2O2 — CID 106667722

IUPAC1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol
SMILESNCc1ccc(N2CC(O)C(O)C2)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c12-9-3-8(2-1-7(9)4-13)14-5-10(15)11(16)6-14/h1-3,10-11,15-16H,4-6,13H2
InChIKeyKFGAHPWGAWZHII-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.34
Rot. Bonds2

About 1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol

1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol (PubChem CID 106667722) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol
PubChem CID106667722
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol
SMILESNCc1ccc(N2CC(O)C(O)C2)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c12-9-3-8(2-1-7(9)4-13)14-5-10(15)11(16)6-14/h1-3,10-11,15-16H,4-6,13H2
InChIKeyKFGAHPWGAWZHII-UHFFFAOYSA-N
XLogP0.34
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-4-piperazin-1-ylphenyl)methanamine
CID 62945857
[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 62945829
2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide
CID 62944524
[2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine
CID 62946182
1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194575
2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 114064893
1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106667658
1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol
CID 106667686
1-(3,4-dichlorophenyl)azetidin-3-ol
CID 155174092
(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol
CID 95562583
4-(aminomethyl)-3-chlorophenol;dihydrochloride
CID 133059883
1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol
CID 106670872

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol (CID 106667722) is 1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol is NCc1ccc(N2CC(O)C(O)C2)cc1Cl.
What is the InChIKey of 1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol?
The InChIKey is KFGAHPWGAWZHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-9-3-8(2-1-7(9)4-13)14-5-10(15)11(16)6-14/h1-3,10-11,15-16H,4-6,13H2.
What are the key properties of 1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol?
1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol has a molecular weight of 242.71 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106667722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).