N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline

C17H16BrNO2 — CID 61166186

IUPACN-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline
SMILESCOCc1c(Br)cccc1NCc1cc2ccccc2o1
InChIInChI=1S/C17H16BrNO2/c1-20-11-14-15(18)6-4-7-16(14)19-10-13-9-12-5-2-3-8-17(12)21-13/h2-9,19H,10-11H2,1H3
InChIKeyUUDHKIHLDNXVKZ-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.95
Rot. Bonds5

About N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline

N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline (PubChem CID 61166186) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline
PubChem CID61166186
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC NameN-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline
SMILESCOCc1c(Br)cccc1NCc1cc2ccccc2o1
InChIInChI=1S/C17H16BrNO2/c1-20-11-14-15(18)6-4-7-16(14)19-10-13-9-12-5-2-3-8-17(12)21-13/h2-9,19H,10-11H2,1H3
InChIKeyUUDHKIHLDNXVKZ-UHFFFAOYSA-N
XLogP4.95
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)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-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 61167541
[5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol
CID 64591230
3-bromo-N-(furan-2-ylmethyl)-2-(methoxymethyl)aniline
CID 61167539
N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline
CID 43683009
3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 61168138
3-bromo-N-[(4-ethylphenyl)methyl]-2-(methoxymethyl)aniline
CID 63452483
3-bromo-2-(methoxymethyl)-N-[(3-methoxyphenyl)methyl]aniline
CID 61166179
3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63987060
N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline
CID 60931110
N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline
CID 28619697
3-bromo-2-(methoxymethyl)-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 78943842
N-(1-benzofuran-2-ylmethyl)quinolin-8-amine
CID 30056544

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline (CID 61166186) is N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline is COCc1c(Br)cccc1NCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline?
The InChIKey is UUDHKIHLDNXVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-20-11-14-15(18)6-4-7-16(14)19-10-13-9-12-5-2-3-8-17(12)21-13/h2-9,19H,10-11H2,1H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline?
N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline has a molecular weight of 346.22 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline is sourced from PubChem (CID 61166186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).