3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine

C17H23NO2 — CID 103082873

IUPAC3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine
SMILESCOC1CCC(NC(C)c2oc3ccccc3c2C)C1
InChIInChI=1S/C17H23NO2/c1-11-15-6-4-5-7-16(15)20-17(11)12(2)18-13-8-9-14(10-13)19-3/h4-7,12-14,18H,8-10H2,1-3H3
InChIKeyYJRYGWSVIYITIE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.96
Rot. Bonds4

About 3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine

3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine (PubChem CID 103082873) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine
PubChem CID103082873
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine
SMILESCOC1CCC(NC(C)c2oc3ccccc3c2C)C1
InChIInChI=1S/C17H23NO2/c1-11-15-6-4-5-7-16(15)20-17(11)12(2)18-13-8-9-14(10-13)19-3/h4-7,12-14,18H,8-10H2,1-3H3
InChIKeyYJRYGWSVIYITIE-UHFFFAOYSA-N
XLogP3.96
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.96
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
1-(3-methoxycyclobutyl)-3-[1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532954
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-methylsulfanylcyclohexan-1-amine
CID 103930642
N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 43768499
2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine
CID 83009316
2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol
CID 103083012
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide
CID 47062264
4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 113414416
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine
CID 103082789
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide
CID 119039497
3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]azepan-2-one
CID 43782012
(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 124571843

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine (CID 103082873) is 3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine is COC1CCC(NC(C)c2oc3ccccc3c2C)C1.
What is the InChIKey of 3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine?
The InChIKey is YJRYGWSVIYITIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11-15-6-4-5-7-16(15)20-17(11)12(2)18-13-8-9-14(10-13)19-3/h4-7,12-14,18H,8-10H2,1-3H3.
What are the key properties of 3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine?
3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 103082873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).