N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine

C17H22FNO — CID 105163861

IUPACN-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NCC)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C17H22FNO/c1-5-11(3)9-15(19-6-2)17-12(4)14-10-13(18)7-8-16(14)20-17/h7-8,10,15,19H,3,5-6,9H2,1-2,4H3
InChIKeyJZSAWMCCOAORLZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.89
Rot. Bonds6

About N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine

N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine (PubChem CID 105163861) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
PubChem CID105163861
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC NameN-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NCC)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C17H22FNO/c1-5-11(3)9-15(19-6-2)17-12(4)14-10-13(18)7-8-16(14)20-17/h7-8,10,15,19H,3,5-6,9H2,1-2,4H3
InChIKeyJZSAWMCCOAORLZ-UHFFFAOYSA-N
XLogP4.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine?
The IUPAC name of N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine (CID 105163861) is N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine?
The canonical SMILES for N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine is C=C(CC)CC(NCC)c1oc2ccc(F)cc2c1C.
What is the InChIKey of N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine?
The InChIKey is JZSAWMCCOAORLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-5-11(3)9-15(19-6-2)17-12(4)14-10-13(18)7-8-16(14)20-17/h7-8,10,15,19H,3,5-6,9H2,1-2,4H3.
What are the key properties of N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine?
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine is sourced from PubChem (CID 105163861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).