[(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride

C22H21ClFNO — CID 69117682

IUPAC[(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride
SMILESCl.NC[C@H]1CCc2cc(F)cc(-c3ccccc3-c3ccccc3)c2O1
InChIInChI=1S/C22H20FNO.ClH/c23-17-12-16-10-11-18(14-24)25-22(16)21(13-17)20-9-5-4-8-19(20)15-6-2-1-3-7-15;/h1-9,12-13,18H,10-11,14,24H2;1H/t18-;/m1./s1
InChIKeyMSCGQKABOPAUMW-GMUIIQOCSA-N
MW369.87 g/mol
LogP5.23
Rot. Bonds3

About [(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride

[(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride (PubChem CID 69117682) has the molecular formula C22H21ClFNO and a molecular weight of 369.87 g/mol. Its IUPAC name is [(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride
PubChem CID69117682
Molecular FormulaC22H21ClFNO
Molecular Weight369.87 g/mol
Exact Mass369.13
IUPAC Name[(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride
SMILESCl.NC[C@H]1CCc2cc(F)cc(-c3ccccc3-c3ccccc3)c2O1
InChIInChI=1S/C22H20FNO.ClH/c23-17-12-16-10-11-18(14-24)25-22(16)21(13-17)20-9-5-4-8-19(20)15-6-2-1-3-7-15;/h1-9,12-13,18H,10-11,14,24H2;1H/t18-;/m1./s1
InChIKeyMSCGQKABOPAUMW-GMUIIQOCSA-N
XLogP5.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.87
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride?
The IUPAC name of [(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride (CID 69117682) is [(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride?
The canonical SMILES for [(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride is Cl.NC[C@H]1CCc2cc(F)cc(-c3ccccc3-c3ccccc3)c2O1.
What is the InChIKey of [(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride?
The InChIKey is MSCGQKABOPAUMW-GMUIIQOCSA-N. The full InChI is InChI=1S/C22H20FNO.ClH/c23-17-12-16-10-11-18(14-24)25-22(16)21(13-17)20-9-5-4-8-19(20)15-6-2-1-3-7-15;/h1-9,12-13,18H,10-11,14,24H2;1H/t18-;/m1./s1.
What are the key properties of [(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride?
[(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride has a molecular weight of 369.87 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 69117682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).