N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine

C16H21NO3 — CID 43732753

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESc1cc2c(cc1NC1CCC3(CC1)OCCO3)CCO2
InChIInChI=1S/C16H21NO3/c1-2-15-12(5-8-18-15)11-14(1)17-13-3-6-16(7-4-13)19-9-10-20-16/h1-2,11,13,17H,3-10H2
InChIKeyHSAPUZSRRWLYEJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.72
Rot. Bonds2

About N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine

N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 43732753) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID43732753
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESc1cc2c(cc1NC1CCC3(CC1)OCCO3)CCO2
InChIInChI=1S/C16H21NO3/c1-2-15-12(5-8-18-15)11-14(1)17-13-3-6-16(7-4-13)19-9-10-20-16/h1-2,11,13,17H,3-10H2
InChIKeyHSAPUZSRRWLYEJ-UHFFFAOYSA-N
XLogP2.72
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine
CID 104871540
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
CID 79860663
N-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 29279291
N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine
CID 61308618
2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzoic acid
CID 43736297
3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633647
1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682101
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115243911
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 62064568
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 79969298
1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclopropane-1-carbonitrile
CID 115242014

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 43732753) is N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine is c1cc2c(cc1NC1CCC3(CC1)OCCO3)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is HSAPUZSRRWLYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-15-12(5-8-18-15)11-14(1)17-13-3-6-16(7-4-13)19-9-10-20-16/h1-2,11,13,17H,3-10H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 275.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 43732753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).