N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine

C13H17F2NO — CID 80605296

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)C(F)F
InChIInChI=1S/C13H17F2NO/c1-2-6-16-12(13(14)15)10-3-4-11-9(8-10)5-7-17-11/h3-4,8,12-13,16H,2,5-7H2,1H3
InChIKeyKZLSQNBPJJXYRA-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.93
Rot. Bonds5

About N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine

N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine (PubChem CID 80605296) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
PubChem CID80605296
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)C(F)F
InChIInChI=1S/C13H17F2NO/c1-2-6-16-12(13(14)15)10-3-4-11-9(8-10)5-7-17-11/h3-4,8,12-13,16H,2,5-7H2,1H3
InChIKeyKZLSQNBPJJXYRA-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518674
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
CID 62065655
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 43495458
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol
CID 65234969
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 104542759
N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine
CID 43495451
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine
CID 116761534
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine
CID 115819586
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106826940
N-[cyclopenten-1-yl(2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 62200506
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
CID 105037301

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine (CID 80605296) is N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine is CCCNC(c1ccc2c(c1)CCO2)C(F)F.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine?
The InChIKey is KZLSQNBPJJXYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-2-6-16-12(13(14)15)10-3-4-11-9(8-10)5-7-17-11/h3-4,8,12-13,16H,2,5-7H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine?
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine has a molecular weight of 241.28 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine is sourced from PubChem (CID 80605296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).