N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine

C16H20FNO2 — CID 43728739

IUPACN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCOc1ccc(F)cc1C(C)NC(C)c1ccc(C)o1
InChIInChI=1S/C16H20FNO2/c1-10-5-7-15(20-10)12(3)18-11(2)14-9-13(17)6-8-16(14)19-4/h5-9,11-12,18H,1-4H3
InChIKeySKRJTQAIZGKJPB-UHFFFAOYSA-N
MW277.34 g/mol
LogP4.15
Rot. Bonds5

About N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 43728739) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
PubChem CID43728739
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCOc1ccc(F)cc1C(C)NC(C)c1ccc(C)o1
InChIInChI=1S/C16H20FNO2/c1-10-5-7-15(20-10)12(3)18-11(2)14-9-13(17)6-8-16(14)19-4/h5-9,11-12,18H,1-4H3
InChIKeySKRJTQAIZGKJPB-UHFFFAOYSA-N
XLogP4.15
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43674237
5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol
CID 63064633
4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 54968451
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine
CID 43728729
1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
CID 102612474
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43728698
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81352935
1-(5-fluoro-2-methoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943695
methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate
CID 115282443
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 81365540

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine (CID 43728739) is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine is COc1ccc(F)cc1C(C)NC(C)c1ccc(C)o1.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is SKRJTQAIZGKJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-10-5-7-15(20-10)12(3)18-11(2)14-9-13(17)6-8-16(14)19-4/h5-9,11-12,18H,1-4H3.
What are the key properties of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine?
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 277.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 43728739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).