(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine

C16H16BrNO2 — CID 62199757

IUPAC(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCOc1ccc(C(N)c2ccc3c(c2)CCO3)c(Br)c1
InChIInChI=1S/C16H16BrNO2/c1-19-12-3-4-13(14(17)9-12)16(18)11-2-5-15-10(8-11)6-7-20-15/h2-5,8-9,16H,6-7,18H2,1H3
InChIKeyMSQMBNJARVAKNK-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.44
Rot. Bonds3

About (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine

(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 62199757) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID62199757
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCOc1ccc(C(N)c2ccc3c(c2)CCO3)c(Br)c1
InChIInChI=1S/C16H16BrNO2/c1-19-12-3-4-13(14(17)9-12)16(18)11-2-5-15-10(8-11)6-7-20-15/h2-5,8-9,16H,6-7,18H2,1H3
InChIKeyMSQMBNJARVAKNK-UHFFFAOYSA-N
XLogP3.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine
CID 106791668
2,3-dihydro-1-benzofuran-5-yl-(2,4-dimethoxyphenyl)methanol
CID 61099921
(2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61027221
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 65327998
(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 107981824
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561298
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 105006924
(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
CID 60788475
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
(2-bromo-4-methoxyphenyl)-phenylmethanamine
CID 60785941

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 62199757) is (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine is COc1ccc(C(N)c2ccc3c(c2)CCO3)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is MSQMBNJARVAKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-19-12-3-4-13(14(17)9-12)16(18)11-2-5-15-10(8-11)6-7-20-15/h2-5,8-9,16H,6-7,18H2,1H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 334.21 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 62199757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).