N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine

C13H17NO2 — CID 104871540

IUPACN-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESCOC1CC(Nc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C13H17NO2/c1-15-12-7-11(8-12)14-10-2-3-13-9(6-10)4-5-16-13/h2-3,6,11-12,14H,4-5,7-8H2,1H3
InChIKeyJZYHOFNHKKVQHQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.21
Rot. Bonds3

About N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine

N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 104871540) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine
PubChem CID104871540
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESCOC1CC(Nc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C13H17NO2/c1-15-12-7-11(8-12)14-10-2-3-13-9(6-10)4-5-16-13/h2-3,6,11-12,14H,4-5,7-8H2,1H3
InChIKeyJZYHOFNHKKVQHQ-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine
CID 61017067
N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43732753
3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633647
N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine
CID 61308618
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
CID 79860663
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide
CID 42951853
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
CID 25352937
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657
N-(3-methoxycyclobutyl)-3-propan-2-ylaniline
CID 104870345
N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732693
1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682101

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine (CID 104871540) is N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine is COC1CC(Nc2ccc3c(c2)CCO3)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is JZYHOFNHKKVQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-15-12-7-11(8-12)14-10-2-3-13-9(6-10)4-5-16-13/h2-3,6,11-12,14H,4-5,7-8H2,1H3.
What are the key properties of N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine?
N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 219.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 104871540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).