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

C17H18BrNO2 — CID 66392605

IUPACN-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-ethoxyaniline
SMILESCCOc1cccc(NCC2Cc3cc(Br)ccc3O2)c1
InChIInChI=1S/C17H18BrNO2/c1-2-20-15-5-3-4-14(10-15)19-11-16-9-12-8-13(18)6-7-17(12)21-16/h3-8,10,16,19H,2,9,11H2,1H3
InChIKeyXJAUQZDJUQXZFP-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.26
Rot. Bonds5

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

N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-ethoxyaniline (PubChem CID 66392605) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-ethoxyaniline.

Molecular Properties

Compound NameN-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-ethoxyaniline
PubChem CID66392605
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-ethoxyaniline
SMILESCCOc1cccc(NCC2Cc3cc(Br)ccc3O2)c1
InChIInChI=1S/C17H18BrNO2/c1-2-20-15-5-3-4-14(10-15)19-11-16-9-12-8-13(18)6-7-17(12)21-16/h3-8,10,16,19H,2,9,11H2,1H3
InChIKeyXJAUQZDJUQXZFP-UHFFFAOYSA-N
XLogP4.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-ethoxyaniline
CID 66393336
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluoroaniline
CID 66392578
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine
CID 66392429
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-ethoxybenzene-1,3-diamine
CID 80739401
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-chloro-5-methoxyaniline
CID 66393952
tert-butyl N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate
CID 163335584
1-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 66394154
3-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 113293881
4-bromo-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dichloroaniline
CID 107789032
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104760212
(1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81367322
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethoxyaniline
CID 79222550

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-ethoxyaniline?
The IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-ethoxyaniline (CID 66392605) is N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-ethoxyaniline.
What is the SMILES notation for N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-ethoxyaniline?
The canonical SMILES for N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-ethoxyaniline is CCOc1cccc(NCC2Cc3cc(Br)ccc3O2)c1.
What is the InChIKey of N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-ethoxyaniline?
The InChIKey is XJAUQZDJUQXZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-2-20-15-5-3-4-14(10-15)19-11-16-9-12-8-13(18)6-7-17(12)21-16/h3-8,10,16,19H,2,9,11H2,1H3.
What are the key properties of N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-ethoxyaniline?
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-ethoxyaniline has a molecular weight of 348.24 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-ethoxyaniline is sourced from PubChem (CID 66392605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).