6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine

C16H16BrNO3 — CID 63096189

IUPAC6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1ccc(Br)cc1COc1ccc2c(c1)OCC2N
InChIInChI=1S/C16H16BrNO3/c1-19-15-5-2-11(17)6-10(15)8-20-12-3-4-13-14(18)9-21-16(13)7-12/h2-7,14H,8-9,18H2,1H3
InChIKeyKRZPTKRHBLYPHJ-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.43
Rot. Bonds4

About 6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine

6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63096189) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63096189
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1ccc(Br)cc1COc1ccc2c(c1)OCC2N
InChIInChI=1S/C16H16BrNO3/c1-19-15-5-2-11(17)6-10(15)8-20-12-3-4-13-14(18)9-21-16(13)7-12/h2-7,14H,8-9,18H2,1H3
InChIKeyKRZPTKRHBLYPHJ-UHFFFAOYSA-N
XLogP3.43
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63096723
6-[(4-bromothiophen-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63095837
6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63096617
4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene
CID 60666586
4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
CID 54971308
2-bromo-4-[(5-bromo-2-methoxyphenyl)methoxy]-1-fluorobenzene
CID 83233054
6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63097070
2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol
CID 130038415
4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene
CID 63457370
6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 115690780
6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63096549
3-[(4-bromophenoxy)methyl]-4-methoxyaniline
CID 43134652

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine (CID 63096189) is 6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine is COc1ccc(Br)cc1COc1ccc2c(c1)OCC2N.
What is the InChIKey of 6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is KRZPTKRHBLYPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-19-15-5-2-11(17)6-10(15)8-20-12-3-4-13-14(18)9-21-16(13)7-12/h2-7,14H,8-9,18H2,1H3.
What are the key properties of 6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 350.21 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63096189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).