1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine

C13H19ClFNO — CID 102619367

IUPAC1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine
SMILESCCOC(C)(C)C(N)Cc1cc(F)ccc1Cl
InChIInChI=1S/C13H19ClFNO/c1-4-17-13(2,3)12(16)8-9-7-10(15)5-6-11(9)14/h5-7,12H,4,8,16H2,1-3H3
InChIKeyINNXTUHNCMFSIZ-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.16
Rot. Bonds5

About 1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine

1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine (PubChem CID 102619367) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine
PubChem CID102619367
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine
SMILESCCOC(C)(C)C(N)Cc1cc(F)ccc1Cl
InChIInChI=1S/C13H19ClFNO/c1-4-17-13(2,3)12(16)8-9-7-10(15)5-6-11(9)14/h5-7,12H,4,8,16H2,1-3H3
InChIKeyINNXTUHNCMFSIZ-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-5-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 102619111
1-(4-tert-butylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622505
[1-(2-chloro-5-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 102623584
1-(4-chlorophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 116726294
3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 102616760
1-(2-chloro-5-fluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312379
1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
CID 103449198
1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 114857144
1-(2-chloro-5-fluorophenyl)propan-2-ylhydrazine
CID 102623253
1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 102618765
2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 102618995
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine (CID 102619367) is 1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine is CCOC(C)(C)C(N)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine?
The InChIKey is INNXTUHNCMFSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-4-17-13(2,3)12(16)8-9-7-10(15)5-6-11(9)14/h5-7,12H,4,8,16H2,1-3H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine?
1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine has a molecular weight of 259.75 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine is sourced from PubChem (CID 102619367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).