2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol

C10H13ClFNO — CID 93286867

IUPAC2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
SMILESC[C@H](NCCO)c1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFNO/c1-7(13-4-5-14)9-3-2-8(12)6-10(9)11/h2-3,6-7,13-14H,4-5H2,1H3/t7-/m0/s1
InChIKeyAYOQJXCJLSHKLV-ZETCQYMHSA-N
MW217.67 g/mol
LogP2.12
Rot. Bonds4

About 2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol

2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol (PubChem CID 93286867) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
PubChem CID93286867
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
SMILESC[C@H](NCCO)c1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFNO/c1-7(13-4-5-14)9-3-2-8(12)6-10(9)11/h2-3,6-7,13-14H,4-5H2,1H3/t7-/m0/s1
InChIKeyAYOQJXCJLSHKLV-ZETCQYMHSA-N
XLogP2.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
CID 64911537
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol
CID 66175056
1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780933
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115891014
1-(2-chloro-4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 113348932
3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol
CID 113262026
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103783021
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460624
2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol
CID 43771126
2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol
CID 43776200
1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232432

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol?
The IUPAC name of 2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol (CID 93286867) is 2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol?
The canonical SMILES for 2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol is C[C@H](NCCO)c1ccc(F)cc1Cl.
What is the InChIKey of 2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol?
The InChIKey is AYOQJXCJLSHKLV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-7(13-4-5-14)9-3-2-8(12)6-10(9)11/h2-3,6-7,13-14H,4-5H2,1H3/t7-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol?
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol has a molecular weight of 217.67 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol is sourced from PubChem (CID 93286867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).