N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine

C18H25NO — CID 63451959

IUPACN-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CNCc2cc3ccccc3o2)CC1
InChIInChI=1S/C18H25NO/c1-2-14-7-9-15(10-8-14)12-19-13-17-11-16-5-3-4-6-18(16)20-17/h3-6,11,14-15,19H,2,7-10,12-13H2,1H3
InChIKeyQJDBLQFSLZQQSI-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.74
Rot. Bonds5

About N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine

N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine (PubChem CID 63451959) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
PubChem CID63451959
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CNCc2cc3ccccc3o2)CC1
InChIInChI=1S/C18H25NO/c1-2-14-7-9-15(10-8-14)12-19-13-17-11-16-5-3-4-6-18(16)20-17/h3-6,11,14-15,19H,2,7-10,12-13H2,1H3
InChIKeyQJDBLQFSLZQQSI-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-benzofuran-2-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79530100
N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine
CID 115592636
N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine
CID 63448343
1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone
CID 64773771
ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate
CID 53397244
N-(1-benzofuran-2-ylmethyl)cyclopentanamine
CID 28610923
N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 28615423
1-(4-ethylcyclohexyl)-N-(quinolin-2-ylmethyl)methanamine
CID 63491346
3-(1-benzofuran-2-ylmethylamino)-2-methylpropane-1,2-diol
CID 66168795
N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 115699157
N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine
CID 54950067
N-(1-benzofuran-2-ylmethyl)-2-ethylsulfinylethanamine
CID 113237590

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine (CID 63451959) is N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine is CCC1CCC(CNCc2cc3ccccc3o2)CC1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine?
The InChIKey is QJDBLQFSLZQQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-14-7-9-15(10-8-14)12-19-13-17-11-16-5-3-4-6-18(16)20-17/h3-6,11,14-15,19H,2,7-10,12-13H2,1H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine?
N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine has a molecular weight of 271.40 g/mol, XLogP of 4.74, 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-ylmethyl)-1-(4-ethylcyclohexyl)methanamine is sourced from PubChem (CID 63451959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).