1-[(2S)-3,4-dihydro-2H-chromen-2-yl]-1-[5-(4-fluorophenyl)-3-pyridinyl]-N-methylmethanamine

C22H21FN2O — CID 70076824

IUPAC1-[(2S)-3,4-dihydro-2H-chromen-2-yl]-1-[5-(4-fluorophenyl)-3-pyridinyl]-N-methylmethanamine
SMILESCNC(c1cncc(-c2ccc(F)cc2)c1)[C@@H]1CCc2ccccc2O1
InChIInChI=1S/C22H21FN2O/c1-24-22(21-11-8-16-4-2-3-5-20(16)26-21)18-12-17(13-25-14-18)15-6-9-19(23)10-7-15/h2-7,9-10,12-14,21-22,24H,8,11H2,1H3/t21-,22?/m0/s1
InChIKeyHRRCFYRPXLVLDS-HMTLIYDFSA-N
MW348.42 g/mol
LogP4.54
Rot. Bonds4

About 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]-1-[5-(4-fluorophenyl)-3-pyridinyl]-N-methylmethanamine

1-[(2S)-3,4-dihydro-2H-chromen-2-yl]-1-[5-(4-fluorophenyl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 70076824) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]-1-[5-(4-fluorophenyl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(2S)-3,4-dihydro-2H-chromen-2-yl]-1-[5-(4-fluorophenyl)-3-pyridinyl]-N-methylmethanamine
PubChem CID70076824
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name1-[(2S)-3,4-dihydro-2H-chromen-2-yl]-1-[5-(4-fluorophenyl)-3-pyridinyl]-N-methylmethanamine
SMILESCNC(c1cncc(-c2ccc(F)cc2)c1)[C@@H]1CCc2ccccc2O1
InChIInChI=1S/C22H21FN2O/c1-24-22(21-11-8-16-4-2-3-5-20(16)26-21)18-12-17(13-25-14-18)15-6-9-19(23)10-7-15/h2-7,9-10,12-14,21-22,24H,8,11H2,1H3/t21-,22?/m0/s1
InChIKeyHRRCFYRPXLVLDS-HMTLIYDFSA-N
XLogP4.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]-1-[5-(4-fluorophenyl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]-1-[5-(4-fluorophenyl)-3-pyridinyl]-N-methylmethanamine (CID 70076824) is 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]-1-[5-(4-fluorophenyl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]-1-[5-(4-fluorophenyl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]-1-[5-(4-fluorophenyl)-3-pyridinyl]-N-methylmethanamine is CNC(c1cncc(-c2ccc(F)cc2)c1)[C@@H]1CCc2ccccc2O1.
What is the InChIKey of 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]-1-[5-(4-fluorophenyl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is HRRCFYRPXLVLDS-HMTLIYDFSA-N. The full InChI is InChI=1S/C22H21FN2O/c1-24-22(21-11-8-16-4-2-3-5-20(16)26-21)18-12-17(13-25-14-18)15-6-9-19(23)10-7-15/h2-7,9-10,12-14,21-22,24H,8,11H2,1H3/t21-,22?/m0/s1.
What are the key properties of 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]-1-[5-(4-fluorophenyl)-3-pyridinyl]-N-methylmethanamine?
1-[(2S)-3,4-dihydro-2H-chromen-2-yl]-1-[5-(4-fluorophenyl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 348.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]-1-[5-(4-fluorophenyl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 70076824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).