2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol

C13H19ClFNO2 — CID 82215354

IUPAC2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
SMILESCc1cc(C(Cl)CN(CCO)CCO)ccc1F
InChIInChI=1S/C13H19ClFNO2/c1-10-8-11(2-3-13(10)15)12(14)9-16(4-6-17)5-7-18/h2-3,8,12,17-18H,4-7,9H2,1H3
InChIKeyGLALHDRVFRADEQ-UHFFFAOYSA-N
MW275.75 g/mol
LogP1.70
Rot. Bonds7

About 2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol

2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 82215354) has the molecular formula C13H19ClFNO2 and a molecular weight of 275.75 g/mol. Its IUPAC name is 2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID82215354
Molecular FormulaC13H19ClFNO2
Molecular Weight275.75 g/mol
Exact Mass275.11
IUPAC Name2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
SMILESCc1cc(C(Cl)CN(CCO)CCO)ccc1F
InChIInChI=1S/C13H19ClFNO2/c1-10-8-11(2-3-13(10)15)12(14)9-16(4-6-17)5-7-18/h2-3,8,12,17-18H,4-7,9H2,1H3
InChIKeyGLALHDRVFRADEQ-UHFFFAOYSA-N
XLogP1.70
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 51.70
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-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82214394
1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
CID 82216731
4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63542318
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217071
2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid
CID 84749017
2-[[2-(1,3-benzodioxol-5-yl)-2-chloroethyl]-ethylamino]ethanol
CID 82215210
N-[2-chloro-2-(4-methoxy-3-methylphenyl)ethyl]-N-propylpropan-1-amine
CID 82214749
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
2-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82075115
(4-fluoro-3-methylphenyl)methanediol
CID 45090626

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol (CID 82215354) is 2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol is Cc1cc(C(Cl)CN(CCO)CCO)ccc1F.
What is the InChIKey of 2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is GLALHDRVFRADEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO2/c1-10-8-11(2-3-13(10)15)12(14)9-16(4-6-17)5-7-18/h2-3,8,12,17-18H,4-7,9H2,1H3.
What are the key properties of 2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol?
2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 275.75 g/mol, XLogP of 1.70, 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-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 82215354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).