2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile

C11H13FN2O — CID 62587497

IUPAC2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile
SMILESCc1cc(C(C#N)NCCO)ccc1F
InChIInChI=1S/C11H13FN2O/c1-8-6-9(2-3-10(8)12)11(7-13)14-4-5-15/h2-3,6,11,14-15H,4-5H2,1H3
InChIKeyPKGZZGWBHRJZCM-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.28
Rot. Bonds4

About 2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile

2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile (PubChem CID 62587497) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile
PubChem CID62587497
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile
SMILESCc1cc(C(C#N)NCCO)ccc1F
InChIInChI=1S/C11H13FN2O/c1-8-6-9(2-3-10(8)12)11(7-13)14-4-5-15/h2-3,6,11,14-15H,4-5H2,1H3
InChIKeyPKGZZGWBHRJZCM-UHFFFAOYSA-N
XLogP1.28
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile
CID 62121158
2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62587499
5-[cyano-(3-hydroxypropylamino)methyl]-2-fluorobenzonitrile
CID 114018008
N-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide
CID 84817919
2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 114843588
2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol
CID 115898278
2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104822478
2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
CID 62586957
2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 81145776
2-(3-bromo-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115216
2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile
CID 43115122
2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62585695

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile (CID 62587497) is 2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile is Cc1cc(C(C#N)NCCO)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile?
The InChIKey is PKGZZGWBHRJZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-8-6-9(2-3-10(8)12)11(7-13)14-4-5-15/h2-3,6,11,14-15H,4-5H2,1H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile?
2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile has a molecular weight of 208.24 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile is sourced from PubChem (CID 62587497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).