2-[4-tert-butyl-3-chloro-N-(2-hydroxyethyl)anilino]ethanol

C14H22ClNO2 — CID 56624013

IUPAC2-[4-tert-butyl-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
SMILESCC(C)(C)c1ccc(N(CCO)CCO)cc1Cl
InChIInChI=1S/C14H22ClNO2/c1-14(2,3)12-5-4-11(10-13(12)15)16(6-8-17)7-9-18/h4-5,10,17-18H,6-9H2,1-3H3
InChIKeyNEZJQSSNOJSAOF-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.43
Rot. Bonds5

About 2-[4-tert-butyl-3-chloro-N-(2-hydroxyethyl)anilino]ethanol

2-[4-tert-butyl-3-chloro-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 56624013) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-[4-tert-butyl-3-chloro-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-tert-butyl-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID56624013
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-[4-tert-butyl-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
SMILESCC(C)(C)c1ccc(N(CCO)CCO)cc1Cl
InChIInChI=1S/C14H22ClNO2/c1-14(2,3)12-5-4-11(10-13(12)15)16(6-8-17)7-9-18/h4-5,10,17-18H,6-9H2,1-3H3
InChIKeyNEZJQSSNOJSAOF-UHFFFAOYSA-N
XLogP2.43
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-tert-butyl-3-chloro-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

2,2',2'',2'''-{[(4-Chlorophenyl)methylene]bis[(3-chloro-4,1-phenylene)nitrilo]}tetraethanol
CID 2827036
2-[4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]-(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 542526
2-[4-[[4-[bis(2-hydroxyethyl)amino]-2-chlorophenyl]-(2-chlorophenyl)methyl]-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 2827046
2,2'-((p-tert-Butylphenyl)imino)diethanol
CID 22327724
2-(3-chloro-4-fluoro-N-[(1R)-1-phenylethyl]anilino)propan-1-ol
CID 178339805
2-[(3-Chloro-4-fluorophenyl)(1-phenylethyl)amino]propan-1-ol
CID 11688120
2-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-1-ol
CID 69119168
1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol
CID 69155900
2-[4-Chloro-1-(cycloheptylmethyl)-6-fluoroindol-1-ium-1-yl]ethanol
CID 91068304
2-[3-chloro-N-ethyl-4-(trifluoromethyl)anilino]butan-1-ol
CID 145131853
4-tert-butyl-3-chloro-N-ethyl-5-fluoro-N-methylaniline
CID 146377024
4-tert-butyl-3-chloro-5-fluoro-N,N-dimethylaniline
CID 146377179

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-3-chloro-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[4-tert-butyl-3-chloro-N-(2-hydroxyethyl)anilino]ethanol (CID 56624013) is 2-[4-tert-butyl-3-chloro-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-tert-butyl-3-chloro-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[4-tert-butyl-3-chloro-N-(2-hydroxyethyl)anilino]ethanol is CC(C)(C)c1ccc(N(CCO)CCO)cc1Cl.
What is the InChIKey of 2-[4-tert-butyl-3-chloro-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is NEZJQSSNOJSAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-14(2,3)12-5-4-11(10-13(12)15)16(6-8-17)7-9-18/h4-5,10,17-18H,6-9H2,1-3H3.
What are the key properties of 2-[4-tert-butyl-3-chloro-N-(2-hydroxyethyl)anilino]ethanol?
2-[4-tert-butyl-3-chloro-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 271.79 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-3-chloro-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 56624013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).