2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

C16H22FNO — CID 114710547

IUPAC2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C2CCCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C16H22FNO/c1-18-14-10-16(11-5-3-2-4-6-11)19-15-8-7-12(17)9-13(14)15/h7-9,11,14,16,18H,2-6,10H2,1H3
InChIKeyCHONIFOVIIIWMR-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.82
Rot. Bonds2

About 2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114710547) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114710547
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C2CCCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C16H22FNO/c1-18-14-10-16(11-5-3-2-4-6-11)19-15-8-7-12(17)9-13(14)15/h7-9,11,14,16,18H,2-6,10H2,1H3
InChIKeyCHONIFOVIIIWMR-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114710547) is 2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(C2CCCCC2)Oc2ccc(F)cc21.
What is the InChIKey of 2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is CHONIFOVIIIWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-18-14-10-16(11-5-3-2-4-6-11)19-15-8-7-12(17)9-13(14)15/h7-9,11,14,16,18H,2-6,10H2,1H3.
What are the key properties of 2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 263.36 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114710547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).