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

C16H16FNO — CID 106700737

IUPACN-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1Nc1ccc(F)cc1
InChIInChI=1S/C16H16FNO/c1-16(2)15(13-5-3-4-6-14(13)19-16)18-12-9-7-11(17)8-10-12/h3-10,15,18H,1-2H3
InChIKeyDKACCBJXRNEVMY-UHFFFAOYSA-N
MW257.31 g/mol
LogP4.15
Rot. Bonds2

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

N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106700737) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106700737
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC NameN-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1Nc1ccc(F)cc1
InChIInChI=1S/C16H16FNO/c1-16(2)15(13-5-3-4-6-14(13)19-16)18-12-9-7-11(17)8-10-12/h3-10,15,18H,1-2H3
InChIKeyDKACCBJXRNEVMY-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700866
N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700773
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-(5-bromo-2,4-difluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701491
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 106700878
N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701159
methyl (2S,3R)-3-anilino-2-(4-fluorophenyl)-3H-1-benzofuran-2-carboxylate
CID 146166768
N-(5-bromo-4-fluoro-2-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 107591738
N-[1-(3-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700810

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106700737) is N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is CC1(C)Oc2ccccc2C1Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is DKACCBJXRNEVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-16(2)15(13-5-3-4-6-14(13)19-16)18-12-9-7-11(17)8-10-12/h3-10,15,18H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 257.31 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106700737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).