N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine

C18H27NO2 — CID 106701163

IUPACN-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1NCCOC1CCCCC1
InChIInChI=1S/C18H27NO2/c1-18(2)17(15-10-6-7-11-16(15)21-18)19-12-13-20-14-8-4-3-5-9-14/h6-7,10-11,14,17,19H,3-5,8-9,12-13H2,1-2H3
InChIKeyUSCOHKPMTZGIDP-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.84
Rot. Bonds5

About N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine

N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106701163) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106701163
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1NCCOC1CCCCC1
InChIInChI=1S/C18H27NO2/c1-18(2)17(15-10-6-7-11-16(15)21-18)19-12-13-20-14-8-4-3-5-9-14/h6-7,10-11,14,17,19H,3-5,8-9,12-13H2,1-2H3
InChIKeyUSCOHKPMTZGIDP-UHFFFAOYSA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
CID 106701422
2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol
CID 106701232
2,2-dimethyl-N-(4-methylsulfanylbutyl)-3H-1-benzofuran-3-amine
CID 106701442
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide
CID 106336127
N-hex-5-ynyl-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106209887
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701076
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-ethylethanesulfonamide
CID 106334729
N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701361
2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3H-1-benzofuran-3-amine
CID 106701281
2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701284

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106701163) is N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is CC1(C)Oc2ccccc2C1NCCOC1CCCCC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is USCOHKPMTZGIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2)17(15-10-6-7-11-16(15)21-18)19-12-13-20-14-8-4-3-5-9-14/h6-7,10-11,14,17,19H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 289.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).