N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine

C14H18FNO2 — CID 114728068

IUPACN-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine
SMILESCCNC(CCOC)c1cc2cccc(F)c2o1
InChIInChI=1S/C14H18FNO2/c1-3-16-12(7-8-17-2)13-9-10-5-4-6-11(15)14(10)18-13/h4-6,9,12,16H,3,7-8H2,1-2H3
InChIKeyRZLOFFJAOUGCMA-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.26
Rot. Bonds6

About N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine

N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine (PubChem CID 114728068) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine
PubChem CID114728068
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine
SMILESCCNC(CCOC)c1cc2cccc(F)c2o1
InChIInChI=1S/C14H18FNO2/c1-3-16-12(7-8-17-2)13-9-10-5-4-6-11(15)14(10)18-13/h4-6,9,12,16H,3,7-8H2,1-2H3
InChIKeyRZLOFFJAOUGCMA-UHFFFAOYSA-N
XLogP3.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 105190303
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559896
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine
CID 114731148
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105186440
2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 105047443
1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine
CID 114730776
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 113230976
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine
CID 114728677

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine?
The IUPAC name of N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine (CID 114728068) is N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine?
The canonical SMILES for N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine is CCNC(CCOC)c1cc2cccc(F)c2o1.
What is the InChIKey of N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine?
The InChIKey is RZLOFFJAOUGCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-3-16-12(7-8-17-2)13-9-10-5-4-6-11(15)14(10)18-13/h4-6,9,12,16H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine?
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine has a molecular weight of 251.30 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine is sourced from PubChem (CID 114728068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).