1-(4-pyrrolidin-1-ylanilino)propan-2-ol

C13H20N2O — CID 63179506

IUPAC1-(4-pyrrolidin-1-ylanilino)propan-2-ol
SMILESCC(O)CNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H20N2O/c1-11(16)10-14-12-4-6-13(7-5-12)15-8-2-3-9-15/h4-7,11,14,16H,2-3,8-10H2,1H3
InChIKeyCYCYFEZDBIJEHQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.08
Rot. Bonds4

About 1-(4-pyrrolidin-1-ylanilino)propan-2-ol

1-(4-pyrrolidin-1-ylanilino)propan-2-ol (PubChem CID 63179506) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(4-pyrrolidin-1-ylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(4-pyrrolidin-1-ylanilino)propan-2-ol
PubChem CID63179506
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(4-pyrrolidin-1-ylanilino)propan-2-ol
SMILESCC(O)CNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H20N2O/c1-11(16)10-14-12-4-6-13(7-5-12)15-8-2-3-9-15/h4-7,11,14,16H,2-3,8-10H2,1H3
InChIKeyCYCYFEZDBIJEHQ-UHFFFAOYSA-N
XLogP2.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-(4-pyrrolidin-1-ylanilino)propan-2-ol 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-piperidin-1-ylanilino)propan-2-ol
CID 63179403
N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43732150
1-propan-2-yloxy-3-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179695
1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol
CID 63929256
methyl 2-methyl-3-(4-pyrrolidin-1-ylanilino)propanoate
CID 63179747
1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol
CID 60720235
methyl 2-methyl-3-(4-piperidin-1-ylanilino)propanoate
CID 63179793
N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 60647120
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674358
N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674409

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-1-ylanilino)propan-2-ol?
The IUPAC name of 1-(4-pyrrolidin-1-ylanilino)propan-2-ol (CID 63179506) is 1-(4-pyrrolidin-1-ylanilino)propan-2-ol.
What is the SMILES notation for 1-(4-pyrrolidin-1-ylanilino)propan-2-ol?
The canonical SMILES for 1-(4-pyrrolidin-1-ylanilino)propan-2-ol is CC(O)CNc1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-(4-pyrrolidin-1-ylanilino)propan-2-ol?
The InChIKey is CYCYFEZDBIJEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(16)10-14-12-4-6-13(7-5-12)15-8-2-3-9-15/h4-7,11,14,16H,2-3,8-10H2,1H3.
What are the key properties of 1-(4-pyrrolidin-1-ylanilino)propan-2-ol?
1-(4-pyrrolidin-1-ylanilino)propan-2-ol has a molecular weight of 220.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-1-ylanilino)propan-2-ol is sourced from PubChem (CID 63179506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).