2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol

C12H18ClNO2 — CID 82214215

IUPAC2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CC(Cl)c1ccccc1
InChIInChI=1S/C12H18ClNO2/c13-12(11-4-2-1-3-5-11)10-14(6-8-15)7-9-16/h1-5,12,15-16H,6-10H2
InChIKeyZHCVDTZJPRZMBT-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.25
Rot. Bonds7

About 2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol

2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 82214215) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol
PubChem CID82214215
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CC(Cl)c1ccccc1
InChIInChI=1S/C12H18ClNO2/c13-12(11-4-2-1-3-5-11)10-14(6-8-15)7-9-16/h1-5,12,15-16H,6-10H2
InChIKeyZHCVDTZJPRZMBT-UHFFFAOYSA-N
XLogP1.25
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.25
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-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82214394
2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82214488
(2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine
CID 92858642
2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 61242461
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271
(2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine
CID 97292301
2-[bis(3,3-diphenylpropyl)amino]ethanol
CID 12831214
2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol
CID 59475402
2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82215354
2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol
CID 82215609
2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol
CID 82214844
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanoic acid
CID 107480863

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol (CID 82214215) is 2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)CC(Cl)c1ccccc1.
What is the InChIKey of 2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is ZHCVDTZJPRZMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c13-12(11-4-2-1-3-5-11)10-14(6-8-15)7-9-16/h1-5,12,15-16H,6-10H2.
What are the key properties of 2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol?
2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 243.73 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 82214215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).