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

C16H22FNO2 — CID 114731148

IUPACN-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine
SMILESCCCC(OC)C(NCC)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H22FNO2/c1-4-7-13(19-3)15(18-5-2)14-10-11-8-6-9-12(17)16(11)20-14/h6,8-10,13,15,18H,4-5,7H2,1-3H3
InChIKeyRHNJNSWASMTMKN-UHFFFAOYSA-N
MW279.35 g/mol
LogP4.04
Rot. Bonds7

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

N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine (PubChem CID 114731148) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine
PubChem CID114731148
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine
SMILESCCCC(OC)C(NCC)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H22FNO2/c1-4-7-13(19-3)15(18-5-2)14-10-11-8-6-9-12(17)16(11)20-14/h6,8-10,13,15,18H,4-5,7H2,1-3H3
InChIKeyRHNJNSWASMTMKN-UHFFFAOYSA-N
XLogP4.04
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine
CID 114728068
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine
CID 114731140
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047
[1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypropyl]hydrazine
CID 105247114
1-(1-benzofuran-2-yl)-2-methoxy-N-propylpentan-1-amine
CID 114731151
1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047391
N-[(7-fluoro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105047588
1-(2,6-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719530
1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559896

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine?
The IUPAC name of N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine (CID 114731148) is N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine.
What is the SMILES notation for N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine?
The canonical SMILES for N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine is CCCC(OC)C(NCC)c1cc2cccc(F)c2o1.
What is the InChIKey of N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine?
The InChIKey is RHNJNSWASMTMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-4-7-13(19-3)15(18-5-2)14-10-11-8-6-9-12(17)16(11)20-14/h6,8-10,13,15,18H,4-5,7H2,1-3H3.
What are the key properties of N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine?
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 4.04, 7 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)-2-methoxypentan-1-amine is sourced from PubChem (CID 114731148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).