N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine

C17H23NO — CID 63448343

IUPACN-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine
SMILESc1ccc2oc(CNCCC3CCCCC3)cc2c1
InChIInChI=1S/C17H23NO/c1-2-6-14(7-3-1)10-11-18-13-16-12-15-8-4-5-9-17(15)19-16/h4-5,8-9,12,14,18H,1-3,6-7,10-11,13H2
InChIKeyPJHRYKUOKLJPAX-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.49
Rot. Bonds5

About N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine

N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine (PubChem CID 63448343) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine
PubChem CID63448343
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine
SMILESc1ccc2oc(CNCCC3CCCCC3)cc2c1
InChIInChI=1S/C17H23NO/c1-2-6-14(7-3-1)10-11-18-13-16-12-15-8-4-5-9-17(15)19-16/h4-5,8-9,12,14,18H,1-3,6-7,10-11,13H2
InChIKeyPJHRYKUOKLJPAX-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzofuran-2-ylmethyl)cyclopentanamine
CID 28610923
N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451959
N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine
CID 28657641
N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine
CID 115592636
4-[(1-benzofuran-2-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79530100
N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine
CID 43080449
N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine
CID 60732893
N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 28618146
N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 28615423
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine
CID 82759724
2-cyclohexyl-N-[(2-trimethylsilylphenyl)methyl]ethanamine;hydrochloride
CID 156624699
N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide
CID 87001290

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine (CID 63448343) is N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine is c1ccc2oc(CNCCC3CCCCC3)cc2c1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine?
The InChIKey is PJHRYKUOKLJPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-6-14(7-3-1)10-11-18-13-16-12-15-8-4-5-9-17(15)19-16/h4-5,8-9,12,14,18H,1-3,6-7,10-11,13H2.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine?
N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine has a molecular weight of 257.38 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine is sourced from PubChem (CID 63448343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).