2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol

C13H20N2O — CID 21098586

IUPAC2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol
SMILESCNCC(O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H20N2O/c1-14-10-13(16)11-4-6-12(7-5-11)15-8-2-3-9-15/h4-7,13-14,16H,2-3,8-10H2,1H3
InChIKeyHRBHSVAVZJRDJZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.54
Rot. Bonds4

About 2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol

2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol (PubChem CID 21098586) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol
PubChem CID21098586
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol
SMILESCNCC(O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H20N2O/c1-14-10-13(16)11-4-6-12(7-5-11)15-8-2-3-9-15/h4-7,13-14,16H,2-3,8-10H2,1H3
InChIKeyHRBHSVAVZJRDJZ-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol
CID 83971909
1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol
CID 83971882
1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol
CID 60720235
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283919
1-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179506
1-(4-pentan-3-ylphenyl)pyrrolidine
CID 168513845
1-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanol
CID 117108221
1-(4-piperidin-1-ylanilino)propan-2-ol
CID 63179403
1-(4-pentan-3-ylphenyl)piperidine
CID 170127380
2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol
CID 83971897
3-chloro-1-(4-pyrrolidin-1-ylphenyl)propane-1,2-diol
CID 171863294

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol?
The IUPAC name of 2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol (CID 21098586) is 2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol.
What is the SMILES notation for 2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol?
The canonical SMILES for 2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol is CNCC(O)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol?
The InChIKey is HRBHSVAVZJRDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14-10-13(16)11-4-6-12(7-5-11)15-8-2-3-9-15/h4-7,13-14,16H,2-3,8-10H2,1H3.
What are the key properties of 2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol?
2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol has a molecular weight of 220.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol is sourced from PubChem (CID 21098586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).