N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine

C19H27NO — CID 114735863

IUPACN-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1c1cc2ccccc2o1
InChIInChI=1S/C19H27NO/c1-3-14-9-10-16(13-20-4-2)17(11-14)19-12-15-7-5-6-8-18(15)21-19/h5-8,12,14,16-17,20H,3-4,9-11,13H2,1-2H3
InChIKeyHQWLKUWCQSOUIM-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.95
Rot. Bonds5

About N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine

N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine (PubChem CID 114735863) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine
PubChem CID114735863
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1c1cc2ccccc2o1
InChIInChI=1S/C19H27NO/c1-3-14-9-10-16(13-20-4-2)17(11-14)19-12-15-7-5-6-8-18(15)21-19/h5-8,12,14,16-17,20H,3-4,9-11,13H2,1-2H3
InChIKeyHQWLKUWCQSOUIM-UHFFFAOYSA-N
XLogP4.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine
CID 114735847
1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine
CID 114735864
N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 114735873
N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine
CID 116546505
1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 114735860
N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81035640
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114747650
N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine
CID 116518670
[4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine
CID 114735537
N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451959
N-[[4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375685
1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine
CID 81031398

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine (CID 114735863) is N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine is CCNCC1CCC(CC)CC1c1cc2ccccc2o1.
What is the InChIKey of N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine?
The InChIKey is HQWLKUWCQSOUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-3-14-9-10-16(13-20-4-2)17(11-14)19-12-15-7-5-6-8-18(15)21-19/h5-8,12,14,16-17,20H,3-4,9-11,13H2,1-2H3.
What are the key properties of N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine?
N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine has a molecular weight of 285.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 114735863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).