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

C19H27NO — CID 63863656

IUPACN-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)C1CCCCC1CC
InChIInChI=1S/C19H27NO/c1-3-14-9-5-7-11-16(14)19(20-4-2)18-13-15-10-6-8-12-17(15)21-18/h6,8,10,12-14,16,19-20H,3-5,7,9,11H2,1-2H3
InChIKeyZXXLNIBQMPNWMF-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.30
Rot. Bonds5

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

N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine (PubChem CID 63863656) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine
PubChem CID63863656
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)C1CCCCC1CC
InChIInChI=1S/C19H27NO/c1-3-14-9-5-7-11-16(14)19(20-4-2)18-13-15-10-6-8-12-17(15)21-18/h6,8,10,12-14,16,19-20H,3-5,7,9,11H2,1-2H3
InChIKeyZXXLNIBQMPNWMF-UHFFFAOYSA-N
XLogP5.30
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
CID 114730295
1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105044052
N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863652
N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine
CID 105043984
1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107417019
1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105043949
3-[ethylamino-(2-ethylcyclohexyl)methyl]-N,N-dimethylaniline
CID 105151275
N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045128
N-[7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]ethanamine
CID 105045723
N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 115493603
[1-benzofuran-2-yl(cyclobutyl)methyl]hydrazine
CID 105218447
N-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine
CID 115862425

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine (CID 63863656) is N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine is CCNC(c1cc2ccccc2o1)C1CCCCC1CC.
What is the InChIKey of N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine?
The InChIKey is ZXXLNIBQMPNWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-3-14-9-5-7-11-16(14)19(20-4-2)18-13-15-10-6-8-12-17(15)21-18/h6,8,10,12-14,16,19-20H,3-5,7,9,11H2,1-2H3.
What are the key properties of N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine?
N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine has a molecular weight of 285.43 g/mol, XLogP of 5.30, 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-yl-(2-ethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 63863656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).