3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine

C17H20FN3O — CID 99828366

IUPAC3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccncc1CN[C@@H]1CCOc2ccc(F)cc21
InChIInChI=1S/C17H20FN3O/c1-21(2)16-5-7-19-10-12(16)11-20-15-6-8-22-17-4-3-13(18)9-14(15)17/h3-5,7,9-10,15,20H,6,8,11H2,1-2H3/t15-/m1/s1
InChIKeyDTABSYQOSBGPOE-OAHLLOKOSA-N
MW301.37 g/mol
LogP2.90
Rot. Bonds4

About 3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine

3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine (PubChem CID 99828366) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine.

Molecular Properties

Compound Name3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine
PubChem CID99828366
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccncc1CN[C@@H]1CCOc2ccc(F)cc21
InChIInChI=1S/C17H20FN3O/c1-21(2)16-5-7-19-10-12(16)11-20-15-6-8-22-17-4-3-13(18)9-14(15)17/h3-5,7,9-10,15,20H,6,8,11H2,1-2H3/t15-/m1/s1
InChIKeyDTABSYQOSBGPOE-OAHLLOKOSA-N
XLogP2.90
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine with MolForge

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Related Compounds

(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 124696908
(4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 124699924
6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461647
N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 138032353
N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 82461639
5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile
CID 119145559
N-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 61015894
6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461441
6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461660
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide
CID 110750976
6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461638
3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine
CID 104624549

Frequently Asked Questions

What is the IUPAC name of 3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine?
The IUPAC name of 3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine (CID 99828366) is 3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine.
What is the SMILES notation for 3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine?
The canonical SMILES for 3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine is CN(C)c1ccncc1CN[C@@H]1CCOc2ccc(F)cc21.
What is the InChIKey of 3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine?
The InChIKey is DTABSYQOSBGPOE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-21(2)16-5-7-19-10-12(16)11-20-15-6-8-22-17-4-3-13(18)9-14(15)17/h3-5,7,9-10,15,20H,6,8,11H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine?
3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine has a molecular weight of 301.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 99828366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).