2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile

C16H15FN2 — CID 94600297

IUPAC2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile
SMILESCN(CC#N)[C@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2/c1-19(12-11-18)16(13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-10,16H,12H2,1H3/t16-/m1/s1
InChIKeyMJVOHNDBGBXGEZ-MRXNPFEDSA-N
MW254.31 g/mol
LogP3.37
Rot. Bonds4

About 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile

2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile (PubChem CID 94600297) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile.

Molecular Properties

Compound Name2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile
PubChem CID94600297
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile
SMILESCN(CC#N)[C@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2/c1-19(12-11-18)16(13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-10,16H,12H2,1H3/t16-/m1/s1
InChIKeyMJVOHNDBGBXGEZ-MRXNPFEDSA-N
XLogP3.37
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile?
The IUPAC name of 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile (CID 94600297) is 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile.
What is the SMILES notation for 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile?
The canonical SMILES for 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile is CN(CC#N)[C@H](c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile?
The InChIKey is MJVOHNDBGBXGEZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15FN2/c1-19(12-11-18)16(13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-10,16H,12H2,1H3/t16-/m1/s1.
What are the key properties of 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile?
2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile has a molecular weight of 254.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile is sourced from PubChem (CID 94600297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).