1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol

C18H22N2O — CID 60720235

IUPAC1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol
SMILESOC(CNc1ccc(N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c21-18(15-6-2-1-3-7-15)14-19-16-8-10-17(11-9-16)20-12-4-5-13-20/h1-3,6-11,18-19,21H,4-5,12-14H2
InChIKeyUYWMQTLDOOUDGG-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.43
Rot. Bonds5

About 1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol

1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol (PubChem CID 60720235) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol
PubChem CID60720235
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol
SMILESOC(CNc1ccc(N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c21-18(15-6-2-1-3-7-15)14-19-16-8-10-17(11-9-16)20-12-4-5-13-20/h1-3,6-11,18-19,21H,4-5,12-14H2
InChIKeyUYWMQTLDOOUDGG-UHFFFAOYSA-N
XLogP3.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
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

1-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179506
1-(4-piperidin-1-ylanilino)propan-2-ol
CID 63179403
2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol
CID 21098586
2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol
CID 22496166
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109020180
(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol
CID 102036092
1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol
CID 63929256
N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43732150
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
1-propan-2-yloxy-3-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179695
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol?
The IUPAC name of 1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol (CID 60720235) is 1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol.
What is the SMILES notation for 1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol?
The canonical SMILES for 1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol is OC(CNc1ccc(N2CCCC2)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol?
The InChIKey is UYWMQTLDOOUDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18(15-6-2-1-3-7-15)14-19-16-8-10-17(11-9-16)20-12-4-5-13-20/h1-3,6-11,18-19,21H,4-5,12-14H2.
What are the key properties of 1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol?
1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol has a molecular weight of 282.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol is sourced from PubChem (CID 60720235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).