N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine

C19H29NO — CID 114747650

IUPACN-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1c1cccc2c1OCC2
InChIInChI=1S/C19H29NO/c1-3-14-8-9-16(13-20-4-2)18(12-14)17-7-5-6-15-10-11-21-19(15)17/h5-7,14,16,18,20H,3-4,8-13H2,1-2H3
InChIKeyQXLLZPDJQHPFDR-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.14
Rot. Bonds5

About N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine

N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine (PubChem CID 114747650) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine
PubChem CID114747650
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1c1cccc2c1OCC2
InChIInChI=1S/C19H29NO/c1-3-14-8-9-16(13-20-4-2)18(12-14)17-7-5-6-15-10-11-21-19(15)17/h5-7,14,16,18,20H,3-4,8-13H2,1-2H3
InChIKeyQXLLZPDJQHPFDR-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine
CID 114747529
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114747647
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine
CID 114747628
N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114735863
7-[2-(2-methylpropyl)cyclopropyl]-2,3-dihydro-1-benzofuran
CID 177208812
N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine
CID 116546505
3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine
CID 114746981
N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81035640
N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine
CID 116518670
N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81033727
(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130680225
N-[[4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375685

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine (CID 114747650) is N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine is CCNCC1CCC(CC)CC1c1cccc2c1OCC2.
What is the InChIKey of N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine?
The InChIKey is QXLLZPDJQHPFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-14-8-9-16(13-20-4-2)18(12-14)17-7-5-6-15-10-11-21-19(15)17/h5-7,14,16,18,20H,3-4,8-13H2,1-2H3.
What are the key properties of N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine?
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 114747650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).