6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine

C14H18FNO2 — CID 114710425

IUPAC6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C2CCOC2)Oc2ccc(F)cc21
InChIInChI=1S/C14H18FNO2/c1-16-12-7-14(9-4-5-17-8-9)18-13-3-2-10(15)6-11(12)13/h2-3,6,9,12,14,16H,4-5,7-8H2,1H3
InChIKeyFYCLPWRXZSIDGI-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.27
Rot. Bonds2

About 6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine

6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114710425) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114710425
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C2CCOC2)Oc2ccc(F)cc21
InChIInChI=1S/C14H18FNO2/c1-16-12-7-14(9-4-5-17-8-9)18-13-3-2-10(15)6-11(12)13/h2-3,6,9,12,14,16H,4-5,7-8H2,1H3
InChIKeyFYCLPWRXZSIDGI-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114710425) is 6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine is CNC1CC(C2CCOC2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FYCLPWRXZSIDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-16-12-7-14(9-4-5-17-8-9)18-13-3-2-10(15)6-11(12)13/h2-3,6,9,12,14,16H,4-5,7-8H2,1H3.
What are the key properties of 6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 251.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114710425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).