N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine

C18H24FNO — CID 114728259

IUPACN-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(F)c2o1)C1CCCC(C)C1
InChIInChI=1S/C18H24FNO/c1-3-20-17(13-7-4-6-12(2)10-13)16-11-14-8-5-9-15(19)18(14)21-16/h5,8-9,11-13,17,20H,3-4,6-7,10H2,1-2H3
InChIKeyIHLVFEIJMFWCNQ-UHFFFAOYSA-N
MW289.39 g/mol
LogP5.05
Rot. Bonds4

About N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine

N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine (PubChem CID 114728259) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine
PubChem CID114728259
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC NameN-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(F)c2o1)C1CCCC(C)C1
InChIInChI=1S/C18H24FNO/c1-3-20-17(13-7-4-6-12(2)10-13)16-11-14-8-5-9-15(19)18(14)21-16/h5,8-9,11-13,17,20H,3-4,6-7,10H2,1-2H3
InChIKeyIHLVFEIJMFWCNQ-UHFFFAOYSA-N
XLogP5.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine with MolForge

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Related Compounds

(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
CID 114724076
N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114727995
N-[(7-fluoro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105047588
2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 105047443
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]ethanamine
CID 114730541
N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 105153854
[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105204500
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 82822378
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine
CID 114730776
N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
CID 114730295
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine (CID 114728259) is N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine is CCNC(c1cc2cccc(F)c2o1)C1CCCC(C)C1.
What is the InChIKey of N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is IHLVFEIJMFWCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-3-20-17(13-7-4-6-12(2)10-13)16-11-14-8-5-9-15(19)18(14)21-16/h5,8-9,11-13,17,20H,3-4,6-7,10H2,1-2H3.
What are the key properties of N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine?
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 289.39 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 114728259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).