N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine

C18H25NO2 — CID 114731424

IUPACN-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)C1(OC)CCCCC1
InChIInChI=1S/C18H25NO2/c1-3-19-17(18(20-2)11-7-4-8-12-18)16-13-14-9-5-6-10-15(14)21-16/h5-6,9-10,13,17,19H,3-4,7-8,11-12H2,1-2H3
InChIKeyZJYKBXGGDQMJRS-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.43
Rot. Bonds5

About N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine

N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine (PubChem CID 114731424) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine
PubChem CID114731424
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)C1(OC)CCCCC1
InChIInChI=1S/C18H25NO2/c1-3-19-17(18(20-2)11-7-4-8-12-18)16-13-14-9-5-6-10-15(14)21-16/h5-6,9-10,13,17,19H,3-4,7-8,11-12H2,1-2H3
InChIKeyZJYKBXGGDQMJRS-UHFFFAOYSA-N
XLogP4.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 114730943
N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 114730941
1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 114731441
1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol
CID 114727316
1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114731419
N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine
CID 116770319
N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
CID 114730295
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192
N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 116763237
N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611302
N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine
CID 116770400
1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 113230976

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine?
The IUPAC name of N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine (CID 114731424) is N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine is CCNC(c1cc2ccccc2o1)C1(OC)CCCCC1.
What is the InChIKey of N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine?
The InChIKey is ZJYKBXGGDQMJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-19-17(18(20-2)11-7-4-8-12-18)16-13-14-9-5-6-10-15(14)21-16/h5-6,9-10,13,17,19H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine?
N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine has a molecular weight of 287.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine is sourced from PubChem (CID 114731424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).