N'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine

C14H19FN2O — CID 103102141

IUPACN'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1oc2ccc(F)cc2c1C
InChIInChI=1S/C14H19FN2O/c1-3-17(7-6-16)9-14-10(2)12-8-11(15)4-5-13(12)18-14/h4-5,8H,3,6-7,9,16H2,1-2H3
InChIKeyVQPAAXLLNHKYFA-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.66
Rot. Bonds5

About N'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine

N'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine (PubChem CID 103102141) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
PubChem CID103102141
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1oc2ccc(F)cc2c1C
InChIInChI=1S/C14H19FN2O/c1-3-17(7-6-16)9-14-10(2)12-8-11(15)4-5-13(12)18-14/h4-5,8H,3,6-7,9,16H2,1-2H3
InChIKeyVQPAAXLLNHKYFA-UHFFFAOYSA-N
XLogP2.66
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine (CID 103102141) is N'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine is CCN(CCN)Cc1oc2ccc(F)cc2c1C.
What is the InChIKey of N'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is VQPAAXLLNHKYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-3-17(7-6-16)9-14-10(2)12-8-11(15)4-5-13(12)18-14/h4-5,8H,3,6-7,9,16H2,1-2H3.
What are the key properties of N'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine?
N'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 250.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 103102141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).