1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine

C17H22FNO — CID 114735841

IUPAC1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)CC1c1cc2cccc(F)c2o1
InChIInChI=1S/C17H22FNO/c1-11-6-7-13(10-19-2)14(8-11)16-9-12-4-3-5-15(18)17(12)20-16/h3-5,9,11,13-14,19H,6-8,10H2,1-2H3
InChIKeySGRTXBJHOJLONF-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.31
Rot. Bonds3

About 1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine

1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine (PubChem CID 114735841) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
PubChem CID114735841
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)CC1c1cc2cccc(F)c2o1
InChIInChI=1S/C17H22FNO/c1-11-6-7-13(10-19-2)14(8-11)16-9-12-4-3-5-15(18)17(12)20-16/h3-5,9,11,13-14,19H,6-8,10H2,1-2H3
InChIKeySGRTXBJHOJLONF-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 114735845
N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 114735682
[4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine
CID 114735537
1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 114735860
N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine
CID 114735847
1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 82782631
1-[2-(1-benzothiophen-7-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81148235
1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine
CID 114735864
N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81033331
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114728259
N-methyl-1-(4-methyl-2-quinolin-6-ylcyclohexyl)methanamine
CID 81222497
2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid
CID 114735394

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine (CID 114735841) is 1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C)CC1c1cc2cccc(F)c2o1.
What is the InChIKey of 1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine?
The InChIKey is SGRTXBJHOJLONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-11-6-7-13(10-19-2)14(8-11)16-9-12-4-3-5-15(18)17(12)20-16/h3-5,9,11,13-14,19H,6-8,10H2,1-2H3.
What are the key properties of 1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine?
1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine has a molecular weight of 275.37 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 114735841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).