1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine

C18H20FNO — CID 61026966

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H20FNO/c1-20-17(12-13-5-2-3-7-16(13)19)14-8-9-18-15(11-14)6-4-10-21-18/h2-3,5,7-9,11,17,20H,4,6,10,12H2,1H3
InChIKeyGGXDRISHUQTBQZ-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.65
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine

1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine (PubChem CID 61026966) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine
PubChem CID61026966
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H20FNO/c1-20-17(12-13-5-2-3-7-16(13)19)14-8-9-18-15(11-14)6-4-10-21-18/h2-3,5,7-9,11,17,20H,4,6,10,12H2,1H3
InChIKeyGGXDRISHUQTBQZ-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
CID 116948587
1-(3,4-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43484603
1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207451
2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 61028266
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 43482553
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 61027481
2-(2-fluorophenyl)-1-(3-fluorophenyl)-N-methylethanamine
CID 54945904
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980
1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 63195375
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105180217
1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
CID 61032684

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine (CID 61026966) is 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine is CNC(Cc1ccccc1F)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is GGXDRISHUQTBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-20-17(12-13-5-2-3-7-16(13)19)14-8-9-18-15(11-14)6-4-10-21-18/h2-3,5,7-9,11,17,20H,4,6,10,12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine?
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 285.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 61026966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).