2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile

C17H15FN2O — CID 15941054

IUPAC2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1-c1cccc2c1O[C@@H](CN)CC2
InChIInChI=1S/C17H15FN2O/c18-13-5-7-15(12(8-13)9-19)16-3-1-2-11-4-6-14(10-20)21-17(11)16/h1-3,5,7-8,14H,4,6,10,20H2/t14-/m1/s1
InChIKeyMIFAYANPFOFYBN-CQSZACIVSA-N
MW282.32 g/mol
LogP3.02
Rot. Bonds2

About 2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile

2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile (PubChem CID 15941054) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile
PubChem CID15941054
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1-c1cccc2c1O[C@@H](CN)CC2
InChIInChI=1S/C17H15FN2O/c18-13-5-7-15(12(8-13)9-19)16-3-1-2-11-4-6-14(10-20)21-17(11)16/h1-3,5,7-8,14H,4,6,10,20H2/t14-/m1/s1
InChIKeyMIFAYANPFOFYBN-CQSZACIVSA-N
XLogP3.02
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile?
The IUPAC name of 2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile (CID 15941054) is 2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile?
The canonical SMILES for 2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile is N#Cc1cc(F)ccc1-c1cccc2c1O[C@@H](CN)CC2.
What is the InChIKey of 2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile?
The InChIKey is MIFAYANPFOFYBN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-13-5-7-15(12(8-13)9-19)16-3-1-2-11-4-6-14(10-20)21-17(11)16/h1-3,5,7-8,14H,4,6,10,20H2/t14-/m1/s1.
What are the key properties of 2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile?
2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile has a molecular weight of 282.32 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile is sourced from PubChem (CID 15941054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).