N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine

C12H14FNO — CID 65438994

IUPACN-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc2cc(F)ccc2o1
InChIInChI=1S/C12H14FNO/c1-8(2)14-7-11-6-9-5-10(13)3-4-12(9)15-11/h3-6,8,14H,7H2,1-2H3
InChIKeyUOMRARSWKZCRNE-UHFFFAOYSA-N
MW207.25 g/mol
LogP3.07
Rot. Bonds3

About N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine

N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine (PubChem CID 65438994) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
PubChem CID65438994
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC NameN-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc2cc(F)ccc2o1
InChIInChI=1S/C12H14FNO/c1-8(2)14-7-11-6-9-5-10(13)3-4-12(9)15-11/h3-6,8,14H,7H2,1-2H3
InChIKeyUOMRARSWKZCRNE-UHFFFAOYSA-N
XLogP3.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65439011
(1S)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 97217146
5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran
CID 117175998
3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 114735623
N-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine
CID 114732415
2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol
CID 109380276
N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 115677897
N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine
CID 114732428
1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol
CID 111579203
N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733542
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine
CID 114733396
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine (CID 65438994) is N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine is CC(C)NCc1cc2cc(F)ccc2o1.
What is the InChIKey of N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine?
The InChIKey is UOMRARSWKZCRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-8(2)14-7-11-6-9-5-10(13)3-4-12(9)15-11/h3-6,8,14H,7H2,1-2H3.
What are the key properties of N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine?
N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine has a molecular weight of 207.25 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 65438994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).