2-[4-[2-benzyl-2-(dimethylamino)butyl]-N-(2-hydroxyethyl)anilino]ethanol

C23H34N2O2 — CID 143086405

IUPAC2-[4-[2-benzyl-2-(dimethylamino)butyl]-N-(2-hydroxyethyl)anilino]ethanol
SMILESCCC(Cc1ccccc1)(Cc1ccc(N(CCO)CCO)cc1)N(C)C
InChIInChI=1S/C23H34N2O2/c1-4-23(24(2)3,18-20-8-6-5-7-9-20)19-21-10-12-22(13-11-21)25(14-16-26)15-17-27/h5-13,26-27H,4,14-19H2,1-3H3
InChIKeyZTVVGASGRHOPDO-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.97
Rot. Bonds11

About 2-[4-[2-benzyl-2-(dimethylamino)butyl]-N-(2-hydroxyethyl)anilino]ethanol

2-[4-[2-benzyl-2-(dimethylamino)butyl]-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 143086405) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-[4-[2-benzyl-2-(dimethylamino)butyl]-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-[2-benzyl-2-(dimethylamino)butyl]-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID143086405
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name2-[4-[2-benzyl-2-(dimethylamino)butyl]-N-(2-hydroxyethyl)anilino]ethanol
SMILESCCC(Cc1ccccc1)(Cc1ccc(N(CCO)CCO)cc1)N(C)C
InChIInChI=1S/C23H34N2O2/c1-4-23(24(2)3,18-20-8-6-5-7-9-20)19-21-10-12-22(13-11-21)25(14-16-26)15-17-27/h5-13,26-27H,4,14-19H2,1-3H3
InChIKeyZTVVGASGRHOPDO-UHFFFAOYSA-N
XLogP2.97
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424
2-[N-[2-(diethylamino)ethyl]anilino]ethanol
CID 110016854
3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide
CID 111544007
2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine
CID 66962333
(2S)-3-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-(ethoxycarbonylamino)-2-methylpropanoic acid
CID 118662840
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
2-N-benzyl-2-ethyl-2-N-methylbutane-1,2-diamine
CID 24700955
2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 170889215
N-benzyl-2-[N-(2-hydroxyethyl)anilino]-N-methylacetamide
CID 110877169
1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea
CID 173326018

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-benzyl-2-(dimethylamino)butyl]-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[4-[2-benzyl-2-(dimethylamino)butyl]-N-(2-hydroxyethyl)anilino]ethanol (CID 143086405) is 2-[4-[2-benzyl-2-(dimethylamino)butyl]-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-[2-benzyl-2-(dimethylamino)butyl]-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[4-[2-benzyl-2-(dimethylamino)butyl]-N-(2-hydroxyethyl)anilino]ethanol is CCC(Cc1ccccc1)(Cc1ccc(N(CCO)CCO)cc1)N(C)C.
What is the InChIKey of 2-[4-[2-benzyl-2-(dimethylamino)butyl]-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is ZTVVGASGRHOPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-4-23(24(2)3,18-20-8-6-5-7-9-20)19-21-10-12-22(13-11-21)25(14-16-26)15-17-27/h5-13,26-27H,4,14-19H2,1-3H3.
What are the key properties of 2-[4-[2-benzyl-2-(dimethylamino)butyl]-N-(2-hydroxyethyl)anilino]ethanol?
2-[4-[2-benzyl-2-(dimethylamino)butyl]-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 370.54 g/mol, XLogP of 2.97, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-benzyl-2-(dimethylamino)butyl]-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 143086405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).