1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine

C18H25NO — CID 43226082

IUPAC1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
SMILESCCc1oc2ccccc2c1CNCC1CCCCC1
InChIInChI=1S/C18H25NO/c1-2-17-16(15-10-6-7-11-18(15)20-17)13-19-12-14-8-4-3-5-9-14/h6-7,10-11,14,19H,2-5,8-9,12-13H2,1H3
InChIKeyLGCTXJBAKSDVRW-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.67
Rot. Bonds5

About 1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine

1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine (PubChem CID 43226082) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
PubChem CID43226082
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
SMILESCCc1oc2ccccc2c1CNCC1CCCCC1
InChIInChI=1S/C18H25NO/c1-2-17-16(15-10-6-7-11-18(15)20-17)13-19-12-14-8-4-3-5-9-14/h6-7,10-11,14,19H,2-5,8-9,12-13H2,1H3
InChIKeyLGCTXJBAKSDVRW-UHFFFAOYSA-N
XLogP4.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63454846
N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine
CID 43226088
1-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
CID 60732674
N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 62446327
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95610730
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
3-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-methylcyclopentan-1-amine
CID 64921153
2-(cyclopropylmethylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylacetamide;hydrochloride
CID 119694665
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61223383

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine (CID 43226082) is 1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine is CCc1oc2ccccc2c1CNCC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine?
The InChIKey is LGCTXJBAKSDVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-17-16(15-10-6-7-11-18(15)20-17)13-19-12-14-8-4-3-5-9-14/h6-7,10-11,14,19H,2-5,8-9,12-13H2,1H3.
What are the key properties of 1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine?
1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine has a molecular weight of 271.40 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine is sourced from PubChem (CID 43226082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).