N-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine

C13H15F2NO — CID 81048867

IUPACN-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCc1c(CNC(C)C)oc2cc(F)cc(F)c12
InChIInChI=1S/C13H15F2NO/c1-7(2)16-6-12-8(3)13-10(15)4-9(14)5-11(13)17-12/h4-5,7,16H,6H2,1-3H3
InChIKeyPPAZSNUZBDTLBM-UHFFFAOYSA-N
MW239.26 g/mol
LogP3.52
Rot. Bonds3

About N-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine

N-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine (PubChem CID 81048867) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is N-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
PubChem CID81048867
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC NameN-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCc1c(CNC(C)C)oc2cc(F)cc(F)c12
InChIInChI=1S/C13H15F2NO/c1-7(2)16-6-12-8(3)13-10(15)4-9(14)5-11(13)17-12/h4-5,7,16H,6H2,1-3H3
InChIKeyPPAZSNUZBDTLBM-UHFFFAOYSA-N
XLogP3.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 62783724
N-[(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81048856
N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 113459871
N-[[5-chloro-4,6-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376998
N-[(5-tert-butyl-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81049022
N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114377044
N-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114374927
N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 106879353
N-[(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81050139
N-[[3-(methoxymethyl)-4,6,7-trimethyl-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114375733
N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine
CID 65308506

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine (CID 81048867) is N-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine is Cc1c(CNC(C)C)oc2cc(F)cc(F)c12.
What is the InChIKey of N-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The InChIKey is PPAZSNUZBDTLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-7(2)16-6-12-8(3)13-10(15)4-9(14)5-11(13)17-12/h4-5,7,16H,6H2,1-3H3.
What are the key properties of N-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine?
N-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine has a molecular weight of 239.26 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 81048867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).