N'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine

C15H23FN2O2 — CID 66365452

IUPACN'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H23FN2O2/c1-19-8-7-18(6-2-5-17)11-14-10-12-9-13(16)3-4-15(12)20-14/h3-4,9,14H,2,5-8,10-11,17H2,1H3
InChIKeyRPRMYFCASXAXNW-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.43
Rot. Bonds8

About N'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine

N'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 66365452) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine
PubChem CID66365452
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H23FN2O2/c1-19-8-7-18(6-2-5-17)11-14-10-12-9-13(16)3-4-15(12)20-14/h3-4,9,14H,2,5-8,10-11,17H2,1H3
InChIKeyRPRMYFCASXAXNW-UHFFFAOYSA-N
XLogP1.43
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine with MolForge

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Related Compounds

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 66365462
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
2-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 80691015
2-[carboxymethyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
CID 66363950
3-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 66365258
2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine
CID 114242591
2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
CID 66362363
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]propanethioamide
CID 66364311
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(2-methoxyethyl)amino]propanethioamide
CID 66363383
4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121920
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]propanoic acid
CID 66365503
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl-(2-methylpropyl)amino]propanimidamide
CID 66364514

Frequently Asked Questions

What is the IUPAC name of N'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine (CID 66365452) is N'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine is COCCN(CCCN)CC1Cc2cc(F)ccc2O1.
What is the InChIKey of N'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is RPRMYFCASXAXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-19-8-7-18(6-2-5-17)11-14-10-12-9-13(16)3-4-15(12)20-14/h3-4,9,14H,2,5-8,10-11,17H2,1H3.
What are the key properties of N'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine?
N'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 282.36 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 66365452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).