N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline

C17H18FNO — CID 63270710

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
SMILESCC1(C)Cc2cc(CNc3ccccc3F)ccc2O1
InChIInChI=1S/C17H18FNO/c1-17(2)10-13-9-12(7-8-16(13)20-17)11-19-15-6-4-3-5-14(15)18/h3-9,19H,10-11H2,1-2H3
InChIKeyYWYJFKHJUVDWQJ-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.15
Rot. Bonds3

About N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline (PubChem CID 63270710) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
PubChem CID63270710
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
SMILESCC1(C)Cc2cc(CNc3ccccc3F)ccc2O1
InChIInChI=1S/C17H18FNO/c1-17(2)10-13-9-12(7-8-16(13)20-17)11-19-15-6-4-3-5-14(15)18/h3-9,19H,10-11H2,1-2H3
InChIKeyYWYJFKHJUVDWQJ-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
CID 63423470
4-bromo-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
CID 63419332
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline
CID 63271150
3-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylaniline
CID 60722706
2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine
CID 63271337
2,5-dibromo-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]aniline
CID 63446452
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide
CID 119934680
1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine
CID 169385560
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbut-3-yn-2-amine
CID 63999911
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine
CID 55168156

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline (CID 63270710) is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline is CC1(C)Cc2cc(CNc3ccccc3F)ccc2O1.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline?
The InChIKey is YWYJFKHJUVDWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-17(2)10-13-9-12(7-8-16(13)20-17)11-19-15-6-4-3-5-14(15)18/h3-9,19H,10-11H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline?
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline has a molecular weight of 271.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 63270710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).