2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol

C13H20N2O — CID 82114402

IUPAC2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol
SMILESCN(CCO)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H20N2O/c1-14(10-11-16)12-4-6-13(7-5-12)15-8-2-3-9-15/h4-7,16H,2-3,8-11H2,1H3
InChIKeyRAXJEPHRCDJJCU-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.72
Rot. Bonds4

About 2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol

2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol (PubChem CID 82114402) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol.

Molecular Properties

Compound Name2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol
PubChem CID82114402
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol
SMILESCN(CCO)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H20N2O/c1-14(10-11-16)12-4-6-13(7-5-12)15-8-2-3-9-15/h4-7,16H,2-3,8-11H2,1H3
InChIKeyRAXJEPHRCDJJCU-UHFFFAOYSA-N
XLogP1.72
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-methyl-4-pyrrolidin-1-ylaniline
CID 82117163
2-[N-methyl-4-(4-methylphenyl)anilino]ethanol
CID 134375637
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline
CID 19868016
3-(N-acetyl-4-pyrrolidin-1-ylanilino)propanoic acid
CID 82320452
2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine
CID 82021053
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 110753175
4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 10261613
N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline
CID 110753185
2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 31994583
2-(4-ethylsulfanyl-N-methylanilino)ethanol
CID 115216147
2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol
CID 117005013

Frequently Asked Questions

What is the IUPAC name of 2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol?
The IUPAC name of 2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol (CID 82114402) is 2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol.
What is the SMILES notation for 2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol?
The canonical SMILES for 2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol is CN(CCO)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol?
The InChIKey is RAXJEPHRCDJJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14(10-11-16)12-4-6-13(7-5-12)15-8-2-3-9-15/h4-7,16H,2-3,8-11H2,1H3.
What are the key properties of 2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol?
2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol has a molecular weight of 220.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol is sourced from PubChem (CID 82114402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).