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

C16H14ClNO2 — CID 80701310

IUPACN-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NCc2coc3ccccc23)c1
InChIInChI=1S/C16H14ClNO2/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
InChIKeyFBMBQDJQVQBOLA-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.71
Rot. Bonds4

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

N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline (PubChem CID 80701310) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline
PubChem CID80701310
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC NameN-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NCc2coc3ccccc23)c1
InChIInChI=1S/C16H14ClNO2/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
InChIKeyFBMBQDJQVQBOLA-UHFFFAOYSA-N
XLogP4.71
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline
CID 80703281
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methylaniline
CID 107630587
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline
CID 107527339
3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide
CID 80700592
N-(1-benzofuran-3-ylmethyl)-3-chloro-2-methylaniline
CID 80701190
2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline
CID 65315824
2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline
CID 55192756
2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline
CID 63204279
3-[(2-chloro-5-methoxyanilino)methyl]furan-2-carboxylic acid
CID 103243582
N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline
CID 66160167
N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
CID 80701548
1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline (CID 80701310) is N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline is COc1ccc(Cl)c(NCc2coc3ccccc23)c1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline?
The InChIKey is FBMBQDJQVQBOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/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-chloro-5-methoxyaniline?
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline has a molecular weight of 287.75 g/mol, XLogP of 4.71, 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-chloro-5-methoxyaniline is sourced from PubChem (CID 80701310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).