N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline

C16H14BrNO2 — CID 80703281

IUPACN-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline
SMILESCOc1ccc(Br)c(NCc2coc3ccccc23)c1
InChIInChI=1S/C16H14BrNO2/c1-19-12-6-7-14(17)15(8-12)18-9-11-10-20-16-5-3-2-4-13(11)16/h2-8,10,18H,9H2,1H3
InChIKeyJICYCDYFEWILTC-UHFFFAOYSA-N
MW332.20 g/mol
LogP4.82
Rot. Bonds4

About N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline

N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline (PubChem CID 80703281) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline
PubChem CID80703281
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC NameN-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline
SMILESCOc1ccc(Br)c(NCc2coc3ccccc23)c1
InChIInChI=1S/C16H14BrNO2/c1-19-12-6-7-14(17)15(8-12)18-9-11-10-20-16-5-3-2-4-13(11)16/h2-8,10,18H,9H2,1H3
InChIKeyJICYCDYFEWILTC-UHFFFAOYSA-N
XLogP4.82
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline 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-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline
CID 80701310
N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline
CID 23767629
2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115877164
N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
CID 80701548
1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609
methyl 2-(1-benzofuran-3-ylmethylamino)benzoate
CID 80701199
(1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81354737
2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol
CID 107740862
2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641
2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline
CID 105403175
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methylaniline
CID 107630587
N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline
CID 80700432

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline (CID 80703281) is N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline is COc1ccc(Br)c(NCc2coc3ccccc23)c1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline?
The InChIKey is JICYCDYFEWILTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-19-12-6-7-14(17)15(8-12)18-9-11-10-20-16-5-3-2-4-13(11)16/h2-8,10,18H,9H2,1H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline?
N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline has a molecular weight of 332.20 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline is sourced from PubChem (CID 80703281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).