2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide

C14H21FN2O2 — CID 107715392

IUPAC2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(C)c1ccc(O)cc1F
InChIInChI=1S/C14H21FN2O2/c1-9(2)7-17-14(19)8-16-10(3)12-5-4-11(18)6-13(12)15/h4-6,9-10,16,18H,7-8H2,1-3H3,(H,17,19)
InChIKeyGUXCZNRJWDKQAJ-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.95
Rot. Bonds6

About 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide

2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide (PubChem CID 107715392) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide
PubChem CID107715392
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(C)c1ccc(O)cc1F
InChIInChI=1S/C14H21FN2O2/c1-9(2)7-17-14(19)8-16-10(3)12-5-4-11(18)6-13(12)15/h4-6,9-10,16,18H,7-8H2,1-3H3,(H,17,19)
InChIKeyGUXCZNRJWDKQAJ-UHFFFAOYSA-N
XLogP1.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 9377861
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide
CID 43401006
2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide
CID 82963648
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8689093
2-[1-(2,4-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567781
3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol
CID 107715334
4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol
CID 107715500
3-fluoro-4-[1-(2-methylsulfinylethylamino)ethyl]phenol
CID 107715438
2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 106335344
N-(2,6-difluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369757
2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide
CID 99626334
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9253724

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide (CID 107715392) is 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNC(C)c1ccc(O)cc1F.
What is the InChIKey of 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is GUXCZNRJWDKQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9(2)7-17-14(19)8-16-10(3)12-5-4-11(18)6-13(12)15/h4-6,9-10,16,18H,7-8H2,1-3H3,(H,17,19).
What are the key properties of 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide?
2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 268.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 107715392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).