N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline

C18H19NO2 — CID 80700432

IUPACN-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccccc1NCc1coc2ccccc12
InChIInChI=1S/C18H19NO2/c1-13(2)21-18-10-6-4-8-16(18)19-11-14-12-20-17-9-5-3-7-15(14)17/h3-10,12-13,19H,11H2,1-2H3
InChIKeyANLBUOQVTNRWSX-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.83
Rot. Bonds5

About N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline

N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline (PubChem CID 80700432) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline
PubChem CID80700432
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccccc1NCc1coc2ccccc12
InChIInChI=1S/C18H19NO2/c1-13(2)21-18-10-6-4-8-16(18)19-11-14-12-20-17-9-5-3-7-15(14)17/h3-10,12-13,19H,11H2,1-2H3
InChIKeyANLBUOQVTNRWSX-UHFFFAOYSA-N
XLogP4.83
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1-benzofuran-3-ylmethylamino)benzoate
CID 80701199
2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide
CID 80700430
N-(1-benzofuran-3-ylmethyl)-3-chloro-2-methylaniline
CID 80701190
2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine
CID 115124164
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline
CID 107527339
N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline
CID 54802436
N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
CID 79690307
N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline
CID 80703281
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline
CID 80701310
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methylaniline
CID 107630587
methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
CID 110485821
2-(1-benzofuran-3-ylmethylamino)-2-methylpropanenitrile
CID 115129363

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline (CID 80700432) is N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline is CC(C)Oc1ccccc1NCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline?
The InChIKey is ANLBUOQVTNRWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13(2)21-18-10-6-4-8-16(18)19-11-14-12-20-17-9-5-3-7-15(14)17/h3-10,12-13,19H,11H2,1-2H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline?
N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline has a molecular weight of 281.36 g/mol, XLogP of 4.83, 5 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-propan-2-yloxyaniline is sourced from PubChem (CID 80700432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).