N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine

C16H21NO2 — CID 43200727

IUPACN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine
SMILESCOc1cccc2cc(C(C)NC3CCCC3)oc12
InChIInChI=1S/C16H21NO2/c1-11(17-13-7-3-4-8-13)15-10-12-6-5-9-14(18-2)16(12)19-15/h5-6,9-11,13,17H,3-4,7-8H2,1-2H3
InChIKeyFCQNJYGSEJFUOX-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.03
Rot. Bonds4

About N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine

N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine (PubChem CID 43200727) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine
PubChem CID43200727
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine
SMILESCOc1cccc2cc(C(C)NC3CCCC3)oc12
InChIInChI=1S/C16H21NO2/c1-11(17-13-7-3-4-8-13)15-10-12-6-5-9-14(18-2)16(12)19-15/h5-6,9-11,13,17H,3-4,7-8H2,1-2H3
InChIKeyFCQNJYGSEJFUOX-UHFFFAOYSA-N
XLogP4.03
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]thian-3-amine
CID 115882048
3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine
CID 104584510
N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 43244143
2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 175069255
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 75427573
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-propylcyclopropan-1-amine
CID 103921920
3-(cyclopentylsulfamoyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]benzamide
CID 55588486
cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51671753
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115905866
(2S)-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-methylbutan-1-ol
CID 79253278
1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
CID 82715428
2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol
CID 103935727

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine?
The IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine (CID 43200727) is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine?
The canonical SMILES for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine is COc1cccc2cc(C(C)NC3CCCC3)oc12.
What is the InChIKey of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine?
The InChIKey is FCQNJYGSEJFUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11(17-13-7-3-4-8-13)15-10-12-6-5-9-14(18-2)16(12)19-15/h5-6,9-11,13,17H,3-4,7-8H2,1-2H3.
What are the key properties of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine?
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine has a molecular weight of 259.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine is sourced from PubChem (CID 43200727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).