N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine

C15H18FNO — CID 114729354

IUPACN-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cc2cc(F)ccc2o1)C1CC1C
InChIInChI=1S/C15H18FNO/c1-3-17-15(12-6-9(12)2)14-8-10-7-11(16)4-5-13(10)18-14/h4-5,7-9,12,15,17H,3,6H2,1-2H3
InChIKeyMORVEYMKRGKHHE-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.88
Rot. Bonds4

About N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine

N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine (PubChem CID 114729354) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
PubChem CID114729354
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC NameN-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cc2cc(F)ccc2o1)C1CC1C
InChIInChI=1S/C15H18FNO/c1-3-17-15(12-6-9(12)2)14-8-10-7-11(16)4-5-13(10)18-14/h4-5,7-9,12,15,17H,3,6H2,1-2H3
InChIKeyMORVEYMKRGKHHE-UHFFFAOYSA-N
XLogP3.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 114728732
N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 105395094
N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65419979
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine
CID 114733396
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine
CID 114727698
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 114728254
[(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 107005864
N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 114730943
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
N-[(5-fluoro-1-benzofuran-2-yl)-(thian-2-yl)methyl]propan-1-amine
CID 114730343
N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105045848
N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 114727898

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine (CID 114729354) is N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine is CCNC(c1cc2cc(F)ccc2o1)C1CC1C.
What is the InChIKey of N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine?
The InChIKey is MORVEYMKRGKHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-3-17-15(12-6-9(12)2)14-8-10-7-11(16)4-5-13(10)18-14/h4-5,7-9,12,15,17H,3,6H2,1-2H3.
What are the key properties of N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine?
N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine has a molecular weight of 247.31 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 114729354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).