N-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine

C17H19NO4 — CID 102066251

IUPACN-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCOCONC1COc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C17H19NO4/c1-19-12-22-18-16-11-21-17-9-14(7-8-15(16)17)20-10-13-5-3-2-4-6-13/h2-9,16,18H,10-12H2,1H3
InChIKeyBPVAWQJPKICTHW-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.82
Rot. Bonds7

About N-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine

N-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 102066251) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID102066251
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCOCONC1COc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C17H19NO4/c1-19-12-22-18-16-11-21-17-9-14(7-8-15(16)17)20-10-13-5-3-2-4-6-13/h2-9,16,18H,10-12H2,1H3
InChIKeyBPVAWQJPKICTHW-UHFFFAOYSA-N
XLogP2.82
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544352
6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096753
3-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]benzonitrile
CID 63096560
4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol
CID 18355593
N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 55219020
N-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 115981802
N-methyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63095165
6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63097070
6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 63097085
[(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate
CID 69379697
N-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 115981803
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine (CID 102066251) is N-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine is COCONC1COc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of N-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is BPVAWQJPKICTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-19-12-22-18-16-11-21-17-9-14(7-8-15(16)17)20-10-13-5-3-2-4-6-13/h2-9,16,18H,10-12H2,1H3.
What are the key properties of N-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine?
N-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 301.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 102066251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).