3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine

C18H20FNO — CID 65299189

IUPAC3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine
SMILESCc1cc(C(N)C2CCOc3ccccc32)cc(C)c1F
InChIInChI=1S/C18H20FNO/c1-11-9-13(10-12(2)17(11)19)18(20)15-7-8-21-16-6-4-3-5-14(15)16/h3-6,9-10,15,18H,7-8,20H2,1-2H3
InChIKeyWQARKCSNGVIOER-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.01
Rot. Bonds2

About 3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine

3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine (PubChem CID 65299189) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine
PubChem CID65299189
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine
SMILESCc1cc(C(N)C2CCOc3ccccc32)cc(C)c1F
InChIInChI=1S/C18H20FNO/c1-11-9-13(10-12(2)17(11)19)18(20)15-7-8-21-16-6-4-3-5-14(15)16/h3-6,9-10,15,18H,7-8,20H2,1-2H3
InChIKeyWQARKCSNGVIOER-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 79742581
(2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 63708815
3,4-dihydro-2H-chromen-4-yl(furan-2-yl)methanamine
CID 63710811
(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 106762643
[3,4-dihydro-2H-chromen-4-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105233881
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 55228205
3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol
CID 63709198
2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 65410661
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 105034368
4-[chloro-(3,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
CID 81158637
1-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65409875

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine (CID 65299189) is 3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine is Cc1cc(C(N)C2CCOc3ccccc32)cc(C)c1F.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine?
The InChIKey is WQARKCSNGVIOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-11-9-13(10-12(2)17(11)19)18(20)15-7-8-21-16-6-4-3-5-14(15)16/h3-6,9-10,15,18H,7-8,20H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine?
3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine has a molecular weight of 285.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 65299189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).