N-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine

C15H20FNO — CID 81048503

IUPACN-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCc1ccc(F)c2oc(CNC(C)(C)C)c(C)c12
InChIInChI=1S/C15H20FNO/c1-9-6-7-11(16)14-13(9)10(2)12(18-14)8-17-15(3,4)5/h6-7,17H,8H2,1-5H3
InChIKeyIQXRUPYYLKEDQG-UHFFFAOYSA-N
MW249.33 g/mol
LogP4.08
Rot. Bonds2

About N-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine

N-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 81048503) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID81048503
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCc1ccc(F)c2oc(CNC(C)(C)C)c(C)c12
InChIInChI=1S/C15H20FNO/c1-9-6-7-11(16)14-13(9)10(2)12(18-14)8-17-15(3,4)5/h6-7,17H,8H2,1-5H3
InChIKeyIQXRUPYYLKEDQG-UHFFFAOYSA-N
XLogP4.08
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81041067
1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 102990740
N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81041095
1-(3-ethyl-7-fluoro-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843187
N-[(7-bromo-5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81048068
N-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843151
N-[(4-chloro-3-ethyl-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843191
N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81048672
N-[(3-ethyl-7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843114
N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 115410731
2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81048795
N-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79145569

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (CID 81048503) is N-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is Cc1ccc(F)c2oc(CNC(C)(C)C)c(C)c12.
What is the InChIKey of N-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is IQXRUPYYLKEDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-9-6-7-11(16)14-13(9)10(2)12(18-14)8-17-15(3,4)5/h6-7,17H,8H2,1-5H3.
What are the key properties of N-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
N-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 249.33 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81048503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).