2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol

C15H24ClNO2 — CID 82214394

IUPAC2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
SMILESCC(C)c1ccc(C(Cl)CN(CCO)CCO)cc1
InChIInChI=1S/C15H24ClNO2/c1-12(2)13-3-5-14(6-4-13)15(16)11-17(7-9-18)8-10-19/h3-6,12,15,18-19H,7-11H2,1-2H3
InChIKeyMPGXAOATWPBMNE-UHFFFAOYSA-N
MW285.81 g/mol
LogP2.38
Rot. Bonds8

About 2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol

2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 82214394) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID82214394
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
SMILESCC(C)c1ccc(C(Cl)CN(CCO)CCO)cc1
InChIInChI=1S/C15H24ClNO2/c1-12(2)13-3-5-14(6-4-13)15(16)11-17(7-9-18)8-10-19/h3-6,12,15,18-19H,7-11H2,1-2H3
InChIKeyMPGXAOATWPBMNE-UHFFFAOYSA-N
XLogP2.38
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82214488
2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol
CID 82214215
2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol
CID 82215609
2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82215354
2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol
CID 82214844
2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol
CID 22327727
2-[[2-(1,3-benzodioxol-5-yl)-2-chloroethyl]-ethylamino]ethanol
CID 82215210
2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
CID 115631692
N-butyl-N-[2-chloro-2-(4-ethylphenyl)ethyl]butan-1-amine
CID 82214391
2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol
CID 82214847
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol (CID 82214394) is 2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol is CC(C)c1ccc(C(Cl)CN(CCO)CCO)cc1.
What is the InChIKey of 2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is MPGXAOATWPBMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-12(2)13-3-5-14(6-4-13)15(16)11-17(7-9-18)8-10-19/h3-6,12,15,18-19H,7-11H2,1-2H3.
What are the key properties of 2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol?
2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 285.81 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 82214394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).