1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine

C22H21FN2O — CID 6918388

IUPAC1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine
SMILESFc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1
InChIInChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1
InChIKeyHKFMQJUJWSFOLY-OAQYLSRUSA-N
MW348.42 g/mol
LogP4.37
Rot. Bonds5

About 1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine

1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine (PubChem CID 6918388) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine
PubChem CID6918388
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine
SMILESFc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1
InChIInChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1
InChIKeyHKFMQJUJWSFOLY-OAQYLSRUSA-N
XLogP4.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine with MolForge

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Related Compounds

N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-1-(6-nitro-3,4-dihydro-2H-chromen-2-yl)methanamine
CID 19079528
(2R)-2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-4-ol
CID 10155672
3-(chloromethyl)-5-(4-fluorophenyl)pyridine;2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile
CID 160581379
N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 54200485
2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol
CID 91460108
1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 138714590
(2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 10378389
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 63050382
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-fluoro-3-pyridinyl)methyl]methanamine
CID 104953641
2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 50948436
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]methanamine
CID 63646715

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine (CID 6918388) is 1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine is Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1.
What is the InChIKey of 1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine?
The InChIKey is HKFMQJUJWSFOLY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1.
What are the key properties of 1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine?
1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine has a molecular weight of 348.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 6918388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).