N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine

C16H17NO3 — CID 115465942

IUPACN-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESc1cc2c(o1)CCCC2Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H17NO3/c1-2-13(12-6-7-18-14(12)3-1)17-11-4-5-15-16(10-11)20-9-8-19-15/h4-7,10,13,17H,1-3,8-9H2
InChIKeyUGKXUQKGUSKWEE-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.54
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine

N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 115465942) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID115465942
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESc1cc2c(o1)CCCC2Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H17NO3/c1-2-13(12-6-7-18-14(12)3-1)17-11-4-5-15-16(10-11)20-9-8-19-15/h4-7,10,13,17H,1-3,8-9H2
InChIKeyUGKXUQKGUSKWEE-UHFFFAOYSA-N
XLogP3.54
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.54
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-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466145
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 86923838
3-N,3-N,4-trimethyl-1-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzene-1,3-diamine
CID 115466645
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
CID 113315131
N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466063
N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465919
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide
CID 115465939
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
CID 115465981
N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
CID 115466121
2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine
CID 115466125
N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465964
N-(2,3,4,5,6-pentafluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115564206

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine (CID 115465942) is N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine is c1cc2c(o1)CCCC2Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is UGKXUQKGUSKWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-13(12-6-7-18-14(12)3-1)17-11-4-5-15-16(10-11)20-9-8-19-15/h4-7,10,13,17H,1-3,8-9H2.
What are the key properties of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 271.32 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 115465942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).