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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Related Compounds

3-[cyclopropyl-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]propanoic acid
CID 166267711
7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide
CID 119754041
N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylethane-1,2-diamine
CID 113405179
(5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine
CID 83906292
2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119306364
3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]propan-1-ol
CID 113410126
N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 115771204
3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride
CID 119754076
N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918572
N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55854007
1-ethyl-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-3-prop-2-enylguanidine
CID 110980417
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 107891205

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).