2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline

C17H18BrNO2 — CID 115349438

IUPAC2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline
SMILESCOc1cc2c(cc1CNc1ccccc1Br)OC(C)C2
InChIInChI=1S/C17H18BrNO2/c1-11-7-12-8-16(20-2)13(9-17(12)21-11)10-19-15-6-4-3-5-14(15)18/h3-6,8-9,11,19H,7,10H2,1-2H3
InChIKeyWSAJNMPLOSBAHS-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.39
Rot. Bonds4

About 2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline

2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline (PubChem CID 115349438) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline
PubChem CID115349438
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline
SMILESCOc1cc2c(cc1CNc1ccccc1Br)OC(C)C2
InChIInChI=1S/C17H18BrNO2/c1-11-7-12-8-16(20-2)13(9-17(12)21-11)10-19-15-6-4-3-5-14(15)18/h3-6,8-9,11,19H,7,10H2,1-2H3
InChIKeyWSAJNMPLOSBAHS-UHFFFAOYSA-N
XLogP4.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylsulfonylaniline
CID 122157309
1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine
CID 34539767
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 47008214
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 106186264
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]thiadiazol-5-amine
CID 107649544
(1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine
CID 30615935
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pentan-3-amine
CID 78910481
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]oxetan-3-amine
CID 115349694
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]prop-2-yn-1-amine
CID 78910545
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline
CID 43189981
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-1-amine
CID 83006494
(1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine
CID 115349722

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline?
The IUPAC name of 2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline (CID 115349438) is 2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline?
The canonical SMILES for 2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline is COc1cc2c(cc1CNc1ccccc1Br)OC(C)C2.
What is the InChIKey of 2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline?
The InChIKey is WSAJNMPLOSBAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11-7-12-8-16(20-2)13(9-17(12)21-11)10-19-15-6-4-3-5-14(15)18/h3-6,8-9,11,19H,7,10H2,1-2H3.
What are the key properties of 2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline?
2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline has a molecular weight of 348.24 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline is sourced from PubChem (CID 115349438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).