N-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine

C17H18FNO2 — CID 106700866

IUPACN-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCOc1ccc(NC2c3ccccc3OC2(C)C)cc1F
InChIInChI=1S/C17H18FNO2/c1-17(2)16(12-6-4-5-7-14(12)21-17)19-11-8-9-15(20-3)13(18)10-11/h4-10,16,19H,1-3H3
InChIKeyWZAJKGPTVBEXQX-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.16
Rot. Bonds3

About N-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine

N-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106700866) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106700866
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCOc1ccc(NC2c3ccccc3OC2(C)C)cc1F
InChIInChI=1S/C17H18FNO2/c1-17(2)16(12-6-4-5-7-14(12)21-17)19-11-8-9-15(20-3)13(18)10-11/h4-10,16,19H,1-3H3
InChIKeyWZAJKGPTVBEXQX-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700737
N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700731
N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701244
N-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700841
N-(5-bromo-2,4-difluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701491
3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one
CID 43380600
5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one
CID 106701000
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701067
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluoro-4-methoxyaniline
CID 66417729
N-[1-(2-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700991
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106700866) is N-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is COc1ccc(NC2c3ccccc3OC2(C)C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is WZAJKGPTVBEXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-17(2)16(12-6-4-5-7-14(12)21-17)19-11-8-9-15(20-3)13(18)10-11/h4-10,16,19H,1-3H3.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 287.33 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106700866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).