3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine

C16H16FNO2S — CID 64657748

IUPAC3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2ccccc2OCC1S(=O)c1ccccc1F
InChIInChI=1S/C16H16FNO2S/c1-18-16-11-6-2-4-8-13(11)20-10-15(16)21(19)14-9-5-3-7-12(14)17/h2-9,15-16,18H,10H2,1H3
InChIKeyJLCIBYDGIHGZKL-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.65
Rot. Bonds3

About 3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine

3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 64657748) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID64657748
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2ccccc2OCC1S(=O)c1ccccc1F
InChIInChI=1S/C16H16FNO2S/c1-18-16-11-6-2-4-8-13(11)20-10-15(16)21(19)14-9-5-3-7-12(14)17/h2-9,15-16,18H,10H2,1H3
InChIKeyJLCIBYDGIHGZKL-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine
CID 64658723
N-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine
CID 64653419
3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64615385
2-(2-fluorophenyl)sulfinylcyclohexan-1-ol
CID 64717103
N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine
CID 64651960
2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide
CID 134536580
3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446113
2-(2-fluorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine
CID 64735347
3-(2-fluorophenyl)sulfinyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-11-amine
CID 142903057
3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine
CID 79476936
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 66393839
3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 64652880

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 64657748) is 3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1c2ccccc2OCC1S(=O)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JLCIBYDGIHGZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-18-16-11-6-2-4-8-13(11)20-10-15(16)21(19)14-9-5-3-7-12(14)17/h2-9,15-16,18H,10H2,1H3.
What are the key properties of 3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine?
3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 305.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 64657748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).