N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C16H19NO3 — CID 115465919

IUPACN-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCOc1cc(NC2CCCc3occc32)cc(OC)c1
InChIInChI=1S/C16H19NO3/c1-18-12-8-11(9-13(10-12)19-2)17-15-4-3-5-16-14(15)6-7-20-16/h6-10,15,17H,3-5H2,1-2H3
InChIKeyAFOJQKQCFPUWKN-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.79
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 115465919) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID115465919
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCOc1cc(NC2CCCc3occc32)cc(OC)c1
InChIInChI=1S/C16H19NO3/c1-18-12-8-11(9-13(10-12)19-2)17-15-4-3-5-16-14(15)6-7-20-16/h6-10,15,17H,3-5H2,1-2H3
InChIKeyAFOJQKQCFPUWKN-UHFFFAOYSA-N
XLogP3.79
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466063
N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465964
N-(2-chloro-4,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466185
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
CID 113315131
N-(4-chloro-2-methoxy-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465900
6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine
CID 115466148
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115465942
3-N,3-N,4-trimethyl-1-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzene-1,3-diamine
CID 115466645
N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466145
N-(2,3,4,5,6-pentafluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115564206
N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315137
N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315138

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 115465919) is N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is COc1cc(NC2CCCc3occc32)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is AFOJQKQCFPUWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-12-8-11(9-13(10-12)19-2)17-15-4-3-5-16-14(15)6-7-20-16/h6-10,15,17H,3-5H2,1-2H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 273.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115465919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).