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

C15H18FNO2 — CID 107139062

IUPAC(5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine
SMILESCc1c(C(N)C2CCCOC2)oc2ccc(F)cc12
InChIInChI=1S/C15H18FNO2/c1-9-12-7-11(16)4-5-13(12)19-15(9)14(17)10-3-2-6-18-8-10/h4-5,7,10,14H,2-3,6,8,17H2,1H3
InChIKeyBXPZFDYLXVZBAS-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.31
Rot. Bonds2

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

(5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine (PubChem CID 107139062) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is (5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine
PubChem CID107139062
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine
SMILESCc1c(C(N)C2CCCOC2)oc2ccc(F)cc12
InChIInChI=1S/C15H18FNO2/c1-9-12-7-11(16)4-5-13(12)19-15(9)14(17)10-3-2-6-18-8-10/h4-5,7,10,14H,2-3,6,8,17H2,1H3
InChIKeyBXPZFDYLXVZBAS-UHFFFAOYSA-N
XLogP3.31
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63068378
2-[chloro(cyclohexyl)methyl]-5-fluoro-3-methyl-1-benzofuran
CID 66777694
cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 66777937
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 105147146
(5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine
CID 63549324
2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 105151601
(2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine
CID 107138851
[(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313472
(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine
CID 79703753
N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline
CID 143859293
[(5-fluoro-1-benzofuran-2-yl)-(oxan-3-yl)methyl]hydrazine
CID 105230132
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propan-2-yloxyethanamine
CID 105168110

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine?
The IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine (CID 107139062) is (5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine.
What is the SMILES notation for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine?
The canonical SMILES for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine is Cc1c(C(N)C2CCCOC2)oc2ccc(F)cc12.
What is the InChIKey of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine?
The InChIKey is BXPZFDYLXVZBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-9-12-7-11(16)4-5-13(12)19-15(9)14(17)10-3-2-6-18-8-10/h4-5,7,10,14H,2-3,6,8,17H2,1H3.
What are the key properties of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine?
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine has a molecular weight of 263.31 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine is sourced from PubChem (CID 107139062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).