N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine

C17H18FNO — CID 106701244

IUPACN-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCc1cc(F)cc(NC2c3ccccc3OC2(C)C)c1
InChIInChI=1S/C17H18FNO/c1-11-8-12(18)10-13(9-11)19-16-14-6-4-5-7-15(14)20-17(16,2)3/h4-10,16,19H,1-3H3
InChIKeyHLERBPNDWDJDRA-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.46
Rot. Bonds2

About N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine

N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106701244) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106701244
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC NameN-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCc1cc(F)cc(NC2c3ccccc3OC2(C)C)c1
InChIInChI=1S/C17H18FNO/c1-11-8-12(18)10-13(9-11)19-16-14-6-4-5-7-15(14)20-17(16,2)3/h4-10,16,19H,1-3H3
InChIKeyHLERBPNDWDJDRA-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700737
N-(2-bromo-4,6-dimethylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701329
N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82815052
N-(5-bromo-2,4-difluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701491
N-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700866
N-(5-bromo-4-fluoro-2-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 107591738
N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700731
N-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700841
5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one
CID 106701000
N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701159
N-[1-(3-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700810
N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700773

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106701244) is N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is Cc1cc(F)cc(NC2c3ccccc3OC2(C)C)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is HLERBPNDWDJDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11-8-12(18)10-13(9-11)19-16-14-6-4-5-7-15(14)20-17(16,2)3/h4-10,16,19H,1-3H3.
What are the key properties of N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 271.33 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).