2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine

C18H26N2O — CID 83009316

IUPAC2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine
SMILESCc1c(C(C)NN2C(C)CCCC2C)oc2ccccc12
InChIInChI=1S/C18H26N2O/c1-12-8-7-9-13(2)20(12)19-15(4)18-14(3)16-10-5-6-11-17(16)21-18/h5-6,10-13,15,19H,7-9H2,1-4H3
InChIKeyJGUFFGNZORQHHW-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.57
Rot. Bonds3

About 2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine

2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine (PubChem CID 83009316) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine
PubChem CID83009316
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine
SMILESCc1c(C(C)NN2C(C)CCCC2C)oc2ccccc12
InChIInChI=1S/C18H26N2O/c1-12-8-7-9-13(2)20(12)19-15(4)18-14(3)16-10-5-6-11-17(16)21-18/h5-6,10-13,15,19H,7-9H2,1-4H3
InChIKeyJGUFFGNZORQHHW-UHFFFAOYSA-N
XLogP4.57
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine
CID 43761485
N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 43768499
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-methylsulfanylcyclohexan-1-amine
CID 103930642
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472055
3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine
CID 103082873
2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol
CID 83006350
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210012
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide
CID 47062264
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]azepan-2-one
CID 43782012
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide
CID 119039497
2-[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120701736

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine?
The IUPAC name of 2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine (CID 83009316) is 2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine is Cc1c(C(C)NN2C(C)CCCC2C)oc2ccccc12.
What is the InChIKey of 2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine?
The InChIKey is JGUFFGNZORQHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-8-7-9-13(2)20(12)19-15(4)18-14(3)16-10-5-6-11-17(16)21-18/h5-6,10-13,15,19H,7-9H2,1-4H3.
What are the key properties of 2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine?
2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine has a molecular weight of 286.42 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine is sourced from PubChem (CID 83009316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).