7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine

C11H14FNO — CID 107170028

IUPAC7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2cc(F)c(C)cc21
InChIInChI=1S/C11H14FNO/c1-7-5-8-10(13-2)3-4-14-11(8)6-9(7)12/h5-6,10,13H,3-4H2,1-2H3
InChIKeyNYQHWJUSTNZVRG-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.18
Rot. Bonds1

About 7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine

7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 107170028) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID107170028
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2cc(F)c(C)cc21
InChIInChI=1S/C11H14FNO/c1-7-5-8-10(13-2)3-4-14-11(8)6-9(7)12/h5-6,10,13H,3-4H2,1-2H3
InChIKeyNYQHWJUSTNZVRG-UHFFFAOYSA-N
XLogP2.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine (CID 107170028) is 7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine is CNC1CCOc2cc(F)c(C)cc21.
What is the InChIKey of 7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NYQHWJUSTNZVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7-5-8-10(13-2)3-4-14-11(8)6-9(7)12/h5-6,10,13H,3-4H2,1-2H3.
What are the key properties of 7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 195.24 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 107170028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).