1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol

C12H17ClFNO2 — CID 114267868

IUPAC1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)COc1ccc(Cl)cc1F
InChIInChI=1S/C12H17ClFNO2/c1-3-15-7-12(2,16)8-17-11-5-4-9(13)6-10(11)14/h4-6,15-16H,3,7-8H2,1-2H3
InChIKeyNLDRGBGVMKVNDU-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.22
Rot. Bonds6

About 1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol

1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol (PubChem CID 114267868) has the molecular formula C12H17ClFNO2 and a molecular weight of 261.72 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol
PubChem CID114267868
Molecular FormulaC12H17ClFNO2
Molecular Weight261.72 g/mol
Exact Mass261.09
IUPAC Name1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)COc1ccc(Cl)cc1F
InChIInChI=1S/C12H17ClFNO2/c1-3-15-7-12(2,16)8-17-11-5-4-9(13)6-10(11)14/h4-6,15-16H,3,7-8H2,1-2H3
InChIKeyNLDRGBGVMKVNDU-UHFFFAOYSA-N
XLogP2.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66336681
1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335927
3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627540
1-(2-chloro-4-fluorophenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335048
1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66336408
1-[(5-chloro-3-pyridinyl)oxy]-3-(ethylamino)-2-methylpropan-2-ol
CID 66335510
1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 107283637
1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66039611
1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol
CID 66335501
1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114491618
1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107686628
1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335778

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol (CID 114267868) is 1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol is CCNCC(C)(O)COc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
The InChIKey is NLDRGBGVMKVNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO2/c1-3-15-7-12(2,16)8-17-11-5-4-9(13)6-10(11)14/h4-6,15-16H,3,7-8H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol has a molecular weight of 261.72 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 114267868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).