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

C16H22FNO — CID 114733396

IUPACN-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine
SMILESCCCC(CCc1cc2cc(F)ccc2o1)NCC
InChIInChI=1S/C16H22FNO/c1-3-5-14(18-4-2)7-8-15-11-12-10-13(17)6-9-16(12)19-15/h6,9-11,14,18H,3-5,7-8H2,1-2H3
InChIKeyPECAYQMARLSAEN-UHFFFAOYSA-N
MW263.36 g/mol
LogP4.28
Rot. Bonds7

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

N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine (PubChem CID 114733396) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine
PubChem CID114733396
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine
SMILESCCCC(CCc1cc2cc(F)ccc2o1)NCC
InChIInChI=1S/C16H22FNO/c1-3-5-14(18-4-2)7-8-15-11-12-10-13(17)6-9-16(12)19-15/h6,9-11,14,18H,3-5,7-8H2,1-2H3
InChIKeyPECAYQMARLSAEN-UHFFFAOYSA-N
XLogP4.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine
CID 114733401
1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine
CID 114733405
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869
N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine
CID 60996816
[1-(5-fluoro-1-benzofuran-2-yl)-2-propylpentyl]hydrazine
CID 105338630
N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 114729354
1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
CID 105046157
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine
CID 114727698
1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728136
1-(3,5-difluorophenyl)-N-ethylheptan-4-amine
CID 105409696
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine?
The IUPAC name of N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine (CID 114733396) is N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine?
The canonical SMILES for N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine is CCCC(CCc1cc2cc(F)ccc2o1)NCC.
What is the InChIKey of N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine?
The InChIKey is PECAYQMARLSAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-3-5-14(18-4-2)7-8-15-11-12-10-13(17)6-9-16(12)19-15/h6,9-11,14,18H,3-5,7-8H2,1-2H3.
What are the key properties of N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine?
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine has a molecular weight of 263.36 g/mol, XLogP of 4.28, 7 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-1-benzofuran-2-yl)hexan-3-amine is sourced from PubChem (CID 114733396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).