1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride

C17H19ClFNO — CID 69117687

IUPAC1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNC[C@H]1CCc2cc(F)cc(-c3ccccc3)c2O1.Cl
InChIInChI=1S/C17H18FNO.ClH/c1-19-11-15-8-7-13-9-14(18)10-16(17(13)20-15)12-5-3-2-4-6-12;/h2-6,9-10,15,19H,7-8,11H2,1H3;1H/t15-;/m1./s1
InChIKeyAMACRHUTKQQRJR-XFULWGLBSA-N
MW307.80 g/mol
LogP3.83
Rot. Bonds3

About 1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride

1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride (PubChem CID 69117687) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride
PubChem CID69117687
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNC[C@H]1CCc2cc(F)cc(-c3ccccc3)c2O1.Cl
InChIInChI=1S/C17H18FNO.ClH/c1-19-11-15-8-7-13-9-14(18)10-16(17(13)20-15)12-5-3-2-4-6-12;/h2-6,9-10,15,19H,7-8,11H2,1H3;1H/t15-;/m1./s1
InChIKeyAMACRHUTKQQRJR-XFULWGLBSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride (CID 69117687) is 1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride is CNC[C@H]1CCc2cc(F)cc(-c3ccccc3)c2O1.Cl.
What is the InChIKey of 1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is AMACRHUTKQQRJR-XFULWGLBSA-N. The full InChI is InChI=1S/C17H18FNO.ClH/c1-19-11-15-8-7-13-9-14(18)10-16(17(13)20-15)12-5-3-2-4-6-12;/h2-6,9-10,15,19H,7-8,11H2,1H3;1H/t15-;/m1./s1.
What are the key properties of 1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride?
1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 307.80 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 69117687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).