3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol

C13H19ClN2O2 — CID 168596364

IUPAC3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol
SMILESOCC(O)CNc1cc(Cl)ccc1N1CCCC1
InChIInChI=1S/C13H19ClN2O2/c14-10-3-4-13(16-5-1-2-6-16)12(7-10)15-8-11(18)9-17/h3-4,7,11,15,17-18H,1-2,5-6,8-9H2
InChIKeyNFGPCENZRKPUDV-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.71
Rot. Bonds5

About 3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol

3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol (PubChem CID 168596364) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol
PubChem CID168596364
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol
SMILESOCC(O)CNc1cc(Cl)ccc1N1CCCC1
InChIInChI=1S/C13H19ClN2O2/c14-10-3-4-13(16-5-1-2-6-16)12(7-10)15-8-11(18)9-17/h3-4,7,11,15,17-18H,1-2,5-6,8-9H2
InChIKeyNFGPCENZRKPUDV-UHFFFAOYSA-N
XLogP1.71
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-chloro-2-(2,3-dihydroxypropylamino)phenyl]piperazin-1-yl]propan-1-one
CID 168596747
5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one
CID 168594960
3-(5-chloro-2-imidazol-1-ylanilino)propane-1,2-diol
CID 168593854
3-(2-amino-4-chloroanilino)propane-1,2-diol
CID 66176123
1-chloro-3-(3-chloro-4-pyrrolidin-1-ylanilino)propan-2-ol
CID 168637936
N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide
CID 41397519
1-[4-[2-(2,3-dihydroxypropylamino)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 168594703
5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonic acid
CID 168593744
4-chloro-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]benzonitrile
CID 64919645
3-(4-methylsulfonyl-3-piperidin-1-ylanilino)propane-1,2-diol
CID 168594715
5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide
CID 168597285
3-[5-chloro-2-(2,2-difluoroethoxy)anilino]propane-1,2-diol
CID 168594806

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol?
The IUPAC name of 3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol (CID 168596364) is 3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol?
The canonical SMILES for 3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol is OCC(O)CNc1cc(Cl)ccc1N1CCCC1.
What is the InChIKey of 3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol?
The InChIKey is NFGPCENZRKPUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c14-10-3-4-13(16-5-1-2-6-16)12(7-10)15-8-11(18)9-17/h3-4,7,11,15,17-18H,1-2,5-6,8-9H2.
What are the key properties of 3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol?
3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol has a molecular weight of 270.76 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol is sourced from PubChem (CID 168596364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).