2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol

C23H30ClNO2 — CID 123718937

IUPAC2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol
SMILESC=C(C)C(C)(C)C(c1ccc(Cl)cc1)c1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C23H30ClNO2/c1-17(2)23(3,4)22(18-5-9-20(24)10-6-18)19-7-11-21(12-8-19)25(13-15-26)14-16-27/h5-12,22,26-27H,1,13-16H2,2-4H3
InChIKeyKXRPLUIGCGAWMR-UHFFFAOYSA-N
MW387.95 g/mol
LogP4.87
Rot. Bonds9

About 2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol

2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 123718937) has the molecular formula C23H30ClNO2 and a molecular weight of 387.95 g/mol. Its IUPAC name is 2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID123718937
Molecular FormulaC23H30ClNO2
Molecular Weight387.95 g/mol
Exact Mass387.20
IUPAC Name2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol
SMILESC=C(C)C(C)(C)C(c1ccc(Cl)cc1)c1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C23H30ClNO2/c1-17(2)23(3,4)22(18-5-9-20(24)10-6-18)19-7-11-21(12-8-19)25(13-15-26)14-16-27/h5-12,22,26-27H,1,13-16H2,2-4H3
InChIKeyKXRPLUIGCGAWMR-UHFFFAOYSA-N
XLogP4.87
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.95
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol 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

2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol
CID 22327727
[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone
CID 138706407
2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol
CID 102397474
(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 55184841
1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 69093819
2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-2,3-dihydroindol-1-yl]ethanol;5-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3H-indol-2-one;2-[4-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-N-(2-hydroxyethyl)anilino]ethanol
CID 157431834
2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol
CID 61446426
2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol
CID 138519660
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
5-[(4-chlorophenyl)-[4-[2-hydroxyethyl(propyl)amino]phenyl]methyl]-1-(2-hydroxyethyl)-3H-indol-2-one
CID 123339537
[4-[bis(2-hydroxyethyl)amino]phenyl]-butylsulfanylmethanethiolate;gold(1+)
CID 59102068

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol (CID 123718937) is 2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol is C=C(C)C(C)(C)C(c1ccc(Cl)cc1)c1ccc(N(CCO)CCO)cc1.
What is the InChIKey of 2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is KXRPLUIGCGAWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClNO2/c1-17(2)23(3,4)22(18-5-9-20(24)10-6-18)19-7-11-21(12-8-19)25(13-15-26)14-16-27/h5-12,22,26-27H,1,13-16H2,2-4H3.
What are the key properties of 2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol?
2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 387.95 g/mol, XLogP of 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 123718937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).