N-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine

C14H18FNO — CID 64855377

IUPACN-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine
SMILESCCNC(C)c1oc2c(F)ccc(C)c2c1C
InChIInChI=1S/C14H18FNO/c1-5-16-10(4)13-9(3)12-8(2)6-7-11(15)14(12)17-13/h6-7,10,16H,5H2,1-4H3
InChIKeyPMZSHDCQVSYNQJ-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.86
Rot. Bonds3

About N-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine

N-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine (PubChem CID 64855377) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is N-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine
PubChem CID64855377
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC NameN-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine
SMILESCCNC(C)c1oc2c(F)ccc(C)c2c1C
InChIInChI=1S/C14H18FNO/c1-5-16-10(4)13-9(3)12-8(2)6-7-11(15)14(12)17-13/h6-7,10,16H,5H2,1-4H3
InChIKeyPMZSHDCQVSYNQJ-UHFFFAOYSA-N
XLogP3.86
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine (CID 64855377) is N-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine is CCNC(C)c1oc2c(F)ccc(C)c2c1C.
What is the InChIKey of N-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is PMZSHDCQVSYNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-5-16-10(4)13-9(3)12-8(2)6-7-11(15)14(12)17-13/h6-7,10,16H,5H2,1-4H3.
What are the key properties of N-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine?
N-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 235.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 64855377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).