(6-fluoro-4-methyl-2H-chromen-3-yl)methanamine

C11H12FNO — CID 115019344

IUPAC(6-fluoro-4-methyl-2H-chromen-3-yl)methanamine
SMILESCC1=C(CN)COc2ccc(F)cc21
InChIInChI=1S/C11H12FNO/c1-7-8(5-13)6-14-11-3-2-9(12)4-10(7)11/h2-4H,5-6,13H2,1H3
InChIKeyRVBXYYWZBDZOIB-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.95
Rot. Bonds1

About (6-fluoro-4-methyl-2H-chromen-3-yl)methanamine

(6-fluoro-4-methyl-2H-chromen-3-yl)methanamine (PubChem CID 115019344) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (6-fluoro-4-methyl-2H-chromen-3-yl)methanamine.

Molecular Properties

Compound Name(6-fluoro-4-methyl-2H-chromen-3-yl)methanamine
PubChem CID115019344
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(6-fluoro-4-methyl-2H-chromen-3-yl)methanamine
SMILESCC1=C(CN)COc2ccc(F)cc21
InChIInChI=1S/C11H12FNO/c1-7-8(5-13)6-14-11-3-2-9(12)4-10(7)11/h2-4H,5-6,13H2,1H3
InChIKeyRVBXYYWZBDZOIB-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4-methyl-2H-chromen-3-yl)methanamine?
The IUPAC name of (6-fluoro-4-methyl-2H-chromen-3-yl)methanamine (CID 115019344) is (6-fluoro-4-methyl-2H-chromen-3-yl)methanamine.
What is the SMILES notation for (6-fluoro-4-methyl-2H-chromen-3-yl)methanamine?
The canonical SMILES for (6-fluoro-4-methyl-2H-chromen-3-yl)methanamine is CC1=C(CN)COc2ccc(F)cc21.
What is the InChIKey of (6-fluoro-4-methyl-2H-chromen-3-yl)methanamine?
The InChIKey is RVBXYYWZBDZOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-7-8(5-13)6-14-11-3-2-9(12)4-10(7)11/h2-4H,5-6,13H2,1H3.
What are the key properties of (6-fluoro-4-methyl-2H-chromen-3-yl)methanamine?
(6-fluoro-4-methyl-2H-chromen-3-yl)methanamine has a molecular weight of 193.22 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4-methyl-2H-chromen-3-yl)methanamine is sourced from PubChem (CID 115019344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).