3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine

C16H23NO2 — CID 79642532

IUPAC3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine
SMILESCNC1CCC(Oc2cccc3c2OC(C)(C)C3)C1
InChIInChI=1S/C16H23NO2/c1-16(2)10-11-5-4-6-14(15(11)19-16)18-13-8-7-12(9-13)17-3/h4-6,12-13,17H,7-10H2,1-3H3
InChIKeyNKCGCGSKGSARMQ-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.92
Rot. Bonds3

About 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine

3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine (PubChem CID 79642532) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine
PubChem CID79642532
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine
SMILESCNC1CCC(Oc2cccc3c2OC(C)(C)C3)C1
InChIInChI=1S/C16H23NO2/c1-16(2)10-11-5-4-6-14(15(11)19-16)18-13-8-7-12(9-13)17-3/h4-6,12-13,17H,7-10H2,1-3H3
InChIKeyNKCGCGSKGSARMQ-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine
CID 79642651
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine
CID 62807246
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine
CID 66357094
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol
CID 66367076
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66357294
N-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]cyclopropanamine
CID 29015499
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine
CID 43095680
7-(3-chloro-2-ethoxycyclobutyl)oxy-2,2-dimethyl-3H-1-benzofuran
CID 104675498
3-(2-methoxyphenoxy)-N-methylcyclopentan-1-amine
CID 79643718
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione
CID 146573714
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
CID 54215280
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine?
The IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine (CID 79642532) is 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine is CNC1CCC(Oc2cccc3c2OC(C)(C)C3)C1.
What is the InChIKey of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine?
The InChIKey is NKCGCGSKGSARMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2)10-11-5-4-6-14(15(11)19-16)18-13-8-7-12(9-13)17-3/h4-6,12-13,17H,7-10H2,1-3H3.
What are the key properties of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine?
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine has a molecular weight of 261.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 79642532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).