(5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine

C10H10FNO — CID 83906292

IUPAC(5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine
SMILESCc1oc2ccc(F)cc2c1CN
InChIInChI=1S/C10H10FNO/c1-6-9(5-12)8-4-7(11)2-3-10(8)13-6/h2-4H,5,12H2,1H3
InChIKeyQAAOASZEPHQCLJ-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.34
Rot. Bonds1

About (5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine

(5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine (PubChem CID 83906292) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is (5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine
PubChem CID83906292
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name(5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine
SMILESCc1oc2ccc(F)cc2c1CN
InChIInChI=1S/C10H10FNO/c1-6-9(5-12)8-4-7(11)2-3-10(8)13-6/h2-4H,5,12H2,1H3
InChIKeyQAAOASZEPHQCLJ-UHFFFAOYSA-N
XLogP2.34
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-2-methyl-1-benzofuran-3-yl)propanoic acid
CID 83910707
(6-bromo-2-methyl-1-benzofuran-3-yl)methanamine
CID 83912563
3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran
CID 139078337
5-fluoro-1,3-dimethyl-2-benzofuran
CID 130209558
1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842839
2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol
CID 166532172
5-fluoro-3-propyl-1-benzofuran-2-carbonitrile
CID 62380864
N'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 103102141
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propan-2-yloxyethanamine
CID 105168110
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
CID 60708400
3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one
CID 84623498
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 107891205

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine?
The IUPAC name of (5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine (CID 83906292) is (5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine.
What is the SMILES notation for (5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine?
The canonical SMILES for (5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine is Cc1oc2ccc(F)cc2c1CN.
What is the InChIKey of (5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine?
The InChIKey is QAAOASZEPHQCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-6-9(5-12)8-4-7(11)2-3-10(8)13-6/h2-4H,5,12H2,1H3.
What are the key properties of (5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine?
(5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine has a molecular weight of 179.19 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 83906292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).