N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine

C19H29NO — CID 107293750

IUPACN-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)C(C)(C)CO2)C1CCCCC1
InChIInChI=1S/C19H29NO/c1-4-20-18(14-8-6-5-7-9-14)15-10-11-17-16(12-15)19(2,3)13-21-17/h10-12,14,18,20H,4-9,13H2,1-3H3
InChIKeyXUYAGFOAEVEBDD-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.59
Rot. Bonds4

About N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine

N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine (PubChem CID 107293750) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
PubChem CID107293750
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)C(C)(C)CO2)C1CCCCC1
InChIInChI=1S/C19H29NO/c1-4-20-18(14-8-6-5-7-9-14)15-10-11-17-16(12-15)19(2,3)13-21-17/h10-12,14,18,20H,4-9,13H2,1-3H3
InChIKeyXUYAGFOAEVEBDD-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methyl]ethanamine
CID 107293755
N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107293748
cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294029
N-[cycloheptyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 62587740
5-(1-chloro-2-cycloheptylethyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294337
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439
2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol
CID 107294159
N-[cyclobutyl(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ethanamine
CID 43489563
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107293658
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 43490475
N-[(3-chloro-4-iodophenyl)-cycloheptylmethyl]ethanamine
CID 103216098

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine (CID 107293750) is N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine is CCNC(c1ccc2c(c1)C(C)(C)CO2)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine?
The InChIKey is XUYAGFOAEVEBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-20-18(14-8-6-5-7-9-14)15-10-11-17-16(12-15)19(2,3)13-21-17/h10-12,14,18,20H,4-9,13H2,1-3H3.
What are the key properties of N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine?
N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine is sourced from PubChem (CID 107293750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).