N-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine

C17H26FNO — CID 142633159

IUPACN-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
SMILESCCNc1c(C)c(C)c2c(c1C)CC(C)(CCCF)O2
InChIInChI=1S/C17H26FNO/c1-6-19-15-11(2)12(3)16-14(13(15)4)10-17(5,20-16)8-7-9-18/h19H,6-10H2,1-5H3
InChIKeyXQFDHJXUFDWOND-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.49
Rot. Bonds5

About N-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine

N-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine (PubChem CID 142633159) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
PubChem CID142633159
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
SMILESCCNc1c(C)c(C)c2c(c1C)CC(C)(CCCF)O2
InChIInChI=1S/C17H26FNO/c1-6-19-15-11(2)12(3)16-14(13(15)4)10-17(5,20-16)8-7-9-18/h19H,6-10H2,1-5H3
InChIKeyXQFDHJXUFDWOND-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The IUPAC name of N-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine (CID 142633159) is N-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for N-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for N-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine is CCNc1c(C)c(C)c2c(c1C)CC(C)(CCCF)O2.
What is the InChIKey of N-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The InChIKey is XQFDHJXUFDWOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-6-19-15-11(2)12(3)16-14(13(15)4)10-17(5,20-16)8-7-9-18/h19H,6-10H2,1-5H3.
What are the key properties of N-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
N-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine has a molecular weight of 279.40 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 142633159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).