2-(4-fluorophenyl)-2-[2-hydroxyethyl-[(1S)-1-phenylethyl]amino]acetonitrile

C18H19FN2O — CID 70298241

IUPAC2-(4-fluorophenyl)-2-[2-hydroxyethyl-[(1S)-1-phenylethyl]amino]acetonitrile
SMILESC[C@@H](c1ccccc1)N(CCO)C(C#N)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O/c1-14(15-5-3-2-4-6-15)21(11-12-22)18(13-20)16-7-9-17(19)10-8-16/h2-10,14,18,22H,11-12H2,1H3/t14-,18?/m0/s1
InChIKeyZLDATKARIAHNGN-PIVQAISJSA-N
MW298.36 g/mol
LogP3.45
Rot. Bonds6

About 2-(4-fluorophenyl)-2-[2-hydroxyethyl-[(1S)-1-phenylethyl]amino]acetonitrile

2-(4-fluorophenyl)-2-[2-hydroxyethyl-[(1S)-1-phenylethyl]amino]acetonitrile (PubChem CID 70298241) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[2-hydroxyethyl-[(1S)-1-phenylethyl]amino]acetonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[2-hydroxyethyl-[(1S)-1-phenylethyl]amino]acetonitrile
PubChem CID70298241
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name2-(4-fluorophenyl)-2-[2-hydroxyethyl-[(1S)-1-phenylethyl]amino]acetonitrile
SMILESC[C@@H](c1ccccc1)N(CCO)C(C#N)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O/c1-14(15-5-3-2-4-6-15)21(11-12-22)18(13-20)16-7-9-17(19)10-8-16/h2-10,14,18,22H,11-12H2,1H3/t14-,18?/m0/s1
InChIKeyZLDATKARIAHNGN-PIVQAISJSA-N
XLogP3.45
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[2-hydroxyethyl-[(1S)-1-phenylethyl]amino]acetonitrile?
The IUPAC name of 2-(4-fluorophenyl)-2-[2-hydroxyethyl-[(1S)-1-phenylethyl]amino]acetonitrile (CID 70298241) is 2-(4-fluorophenyl)-2-[2-hydroxyethyl-[(1S)-1-phenylethyl]amino]acetonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[2-hydroxyethyl-[(1S)-1-phenylethyl]amino]acetonitrile?
The canonical SMILES for 2-(4-fluorophenyl)-2-[2-hydroxyethyl-[(1S)-1-phenylethyl]amino]acetonitrile is C[C@@H](c1ccccc1)N(CCO)C(C#N)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[2-hydroxyethyl-[(1S)-1-phenylethyl]amino]acetonitrile?
The InChIKey is ZLDATKARIAHNGN-PIVQAISJSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-14(15-5-3-2-4-6-15)21(11-12-22)18(13-20)16-7-9-17(19)10-8-16/h2-10,14,18,22H,11-12H2,1H3/t14-,18?/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-2-[2-hydroxyethyl-[(1S)-1-phenylethyl]amino]acetonitrile?
2-(4-fluorophenyl)-2-[2-hydroxyethyl-[(1S)-1-phenylethyl]amino]acetonitrile has a molecular weight of 298.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[2-hydroxyethyl-[(1S)-1-phenylethyl]amino]acetonitrile is sourced from PubChem (CID 70298241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).