2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline

C13H14BrNO2 — CID 115877164

IUPAC2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
SMILESCOc1ccc(Br)c(NCc2occc2C)c1
InChIInChI=1S/C13H14BrNO2/c1-9-5-6-17-13(9)8-15-12-7-10(16-2)3-4-11(12)14/h3-7,15H,8H2,1-2H3
InChIKeyCYJQFROZAKYHJM-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.97
Rot. Bonds4

About 2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline

2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline (PubChem CID 115877164) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
PubChem CID115877164
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
SMILESCOc1ccc(Br)c(NCc2occc2C)c1
InChIInChI=1S/C13H14BrNO2/c1-9-5-6-17-13(9)8-15-12-7-10(16-2)3-4-11(12)14/h3-7,15H,8H2,1-2H3
InChIKeyCYJQFROZAKYHJM-UHFFFAOYSA-N
XLogP3.97
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline 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

3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113242993
N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline
CID 103818584
2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol
CID 107740862
4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113247946
2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline
CID 105403175
5-chloro-2,4-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115742755
4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113242989
2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892845
N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline
CID 80703281
4-[(2-bromo-5-methoxyanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 103252633
2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol
CID 79151320
2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline
CID 115524054

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline (CID 115877164) is 2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline is COc1ccc(Br)c(NCc2occc2C)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline?
The InChIKey is CYJQFROZAKYHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-9-5-6-17-13(9)8-15-12-7-10(16-2)3-4-11(12)14/h3-7,15H,8H2,1-2H3.
What are the key properties of 2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline?
2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline has a molecular weight of 296.16 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 115877164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).