N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine

C16H23NO2 — CID 106701101

IUPACN-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCOC1CCCC1NC1c2ccccc2OC1(C)C
InChIInChI=1S/C16H23NO2/c1-16(2)15(11-7-4-5-9-13(11)19-16)17-12-8-6-10-14(12)18-3/h4-5,7,9,12,14-15,17H,6,8,10H2,1-3H3
InChIKeyDCSQKLIDBJMDCJ-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.06
Rot. Bonds3

About N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine

N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106701101) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106701101
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCOC1CCCC1NC1c2ccccc2OC1(C)C
InChIInChI=1S/C16H23NO2/c1-16(2)15(11-7-4-5-9-13(11)19-16)17-12-8-6-10-14(12)18-3/h4-5,7,9,12,14-15,17H,6,8,10H2,1-3H3
InChIKeyDCSQKLIDBJMDCJ-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine
CID 106701264
N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701175
N-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 62088539
2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol
CID 106701232
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine
CID 106701023
N-(2-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 62086936
N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701361
N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701163
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701076
5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one
CID 106701184
(3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 134968733

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106701101) is N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is COC1CCCC1NC1c2ccccc2OC1(C)C.
What is the InChIKey of N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is DCSQKLIDBJMDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2)15(11-7-4-5-9-13(11)19-16)17-12-8-6-10-14(12)18-3/h4-5,7,9,12,14-15,17H,6,8,10H2,1-3H3.
What are the key properties of N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 261.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).