3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline

C18H18BrNO — CID 107582283

IUPAC3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline
SMILESCCc1oc2ccccc2c1CNc1cc(C)cc(Br)c1
InChIInChI=1S/C18H18BrNO/c1-3-17-16(15-6-4-5-7-18(15)21-17)11-20-14-9-12(2)8-13(19)10-14/h4-10,20H,3,11H2,1-2H3
InChIKeyXEELOBXGPZEBGG-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.68
Rot. Bonds4

About 3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline

3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline (PubChem CID 107582283) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is 3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline
PubChem CID107582283
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline
SMILESCCc1oc2ccccc2c1CNc1cc(C)cc(Br)c1
InChIInChI=1S/C18H18BrNO/c1-3-17-16(15-6-4-5-7-18(15)21-17)11-20-14-9-12(2)8-13(19)10-14/h4-10,20H,3,11H2,1-2H3
InChIKeyXEELOBXGPZEBGG-UHFFFAOYSA-N
XLogP5.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline
CID 43666012
2-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylaniline
CID 43665979
4-bromo-3-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 107618736
4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43666008
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline
CID 43666009
2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 65469504
3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline
CID 107582552
2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline
CID 66254002
2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine
CID 65491280
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline?
The IUPAC name of 3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline (CID 107582283) is 3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline.
What is the SMILES notation for 3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline?
The canonical SMILES for 3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline is CCc1oc2ccccc2c1CNc1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline?
The InChIKey is XEELOBXGPZEBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-3-17-16(15-6-4-5-7-18(15)21-17)11-20-14-9-12(2)8-13(19)10-14/h4-10,20H,3,11H2,1-2H3.
What are the key properties of 3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline?
3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline has a molecular weight of 344.25 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline is sourced from PubChem (CID 107582283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).