N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine

C17H17F2NO — CID 106701159

IUPACN-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1NCc1cc(F)ccc1F
InChIInChI=1S/C17H17F2NO/c1-17(2)16(13-5-3-4-6-15(13)21-17)20-10-11-9-12(18)7-8-14(11)19/h3-9,16,20H,10H2,1-2H3
InChIKeyQVUBQZJEQGWQNA-UHFFFAOYSA-N
MW289.32 g/mol
LogP3.97
Rot. Bonds3

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

N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106701159) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106701159
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1NCc1cc(F)ccc1F
InChIInChI=1S/C17H17F2NO/c1-17(2)16(13-5-3-4-6-15(13)21-17)20-10-11-9-12(18)7-8-14(11)19/h3-9,16,20H,10H2,1-2H3
InChIKeyQVUBQZJEQGWQNA-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.97
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
2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701083
N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700773
2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine
CID 106290183
1-N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 106700808
N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701244
N-[1-(3-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700810
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
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-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106701159) is N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine is CC1(C)Oc2ccccc2C1NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is QVUBQZJEQGWQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-17(2)16(13-5-3-4-6-15(13)21-17)20-10-11-9-12(18)7-8-14(11)19/h3-9,16,20H,10H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 289.32 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).