[4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine

C17H22FNO — CID 114735537

IUPAC[4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(c2cc3cccc(F)c3o2)C1
InChIInChI=1S/C17H22FNO/c1-2-11-6-7-13(10-19)14(8-11)16-9-12-4-3-5-15(18)17(12)20-16/h3-5,9,11,13-14H,2,6-8,10,19H2,1H3
InChIKeyZOHXGAZOVNUSDD-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.44
Rot. Bonds3

About [4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine

[4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine (PubChem CID 114735537) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is [4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine
PubChem CID114735537
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name[4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(c2cc3cccc(F)c3o2)C1
InChIInChI=1S/C17H22FNO/c1-2-11-6-7-13(10-19)14(8-11)16-9-12-4-3-5-15(18)17(12)20-16/h3-5,9,11,13-14H,2,6-8,10,19H2,1H3
InChIKeyZOHXGAZOVNUSDD-UHFFFAOYSA-N
XLogP4.44
TPSA39.16 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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 114735860
1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 114735841
[4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine
CID 81010427
[2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine
CID 106646962
N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 114735682
[2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine
CID 114735548
3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine
CID 114733255
N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114735863
[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737005
3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114723863
2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid
CID 114735394
2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735426

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine (CID 114735537) is [4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine is CCC1CCC(CN)C(c2cc3cccc(F)c3o2)C1.
What is the InChIKey of [4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine?
The InChIKey is ZOHXGAZOVNUSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-2-11-6-7-13(10-19)14(8-11)16-9-12-4-3-5-15(18)17(12)20-16/h3-5,9,11,13-14H,2,6-8,10,19H2,1H3.
What are the key properties of [4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine?
[4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine has a molecular weight of 275.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 114735537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).