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

C17H22FNO — CID 114728254

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCNC(c1cc2cc(F)ccc2o1)C1CCCC(C)C1
InChIInChI=1S/C17H22FNO/c1-11-4-3-5-12(8-11)17(19-2)16-10-13-9-14(18)6-7-15(13)20-16/h6-7,9-12,17,19H,3-5,8H2,1-2H3
InChIKeyZNPVYLREBWVMJX-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.66
Rot. Bonds3

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

1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine (PubChem CID 114728254) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
PubChem CID114728254
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCNC(c1cc2cc(F)ccc2o1)C1CCCC(C)C1
InChIInChI=1S/C17H22FNO/c1-11-4-3-5-12(8-11)17(19-2)16-10-13-9-14(18)6-7-15(13)20-16/h6-7,9-12,17,19H,3-5,8H2,1-2H3
InChIKeyZNPVYLREBWVMJX-UHFFFAOYSA-N
XLogP4.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
CID 114724078
1-(4,4-difluorocyclohexyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105185874
[(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313472
[(5-fluoro-1-benzofuran-2-yl)-(oxan-3-yl)methyl]hydrazine
CID 105230132
[(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105210328
[(5-fluoro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 105229802
N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 114729354
[(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313608
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 114347793
3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 105046030
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114728259
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105046277

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine (CID 114728254) is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine is CNC(c1cc2cc(F)ccc2o1)C1CCCC(C)C1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The InChIKey is ZNPVYLREBWVMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-11-4-3-5-12(8-11)17(19-2)16-10-13-9-14(18)6-7-15(13)20-16/h6-7,9-12,17,19H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine has a molecular weight of 275.37 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 114728254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).