N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine

C16H20FNO2 — CID 83182367

IUPACN-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1c(F)cccc1OC
InChIInChI=1S/C16H20FNO2/c1-3-8-18-14(10-12-7-9-20-11-12)16-13(17)5-4-6-15(16)19-2/h4-7,9,11,14,18H,3,8,10H2,1-2H3
InChIKeyMACCANBXBAAUHV-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.71
Rot. Bonds7

About N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine

N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine (PubChem CID 83182367) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
PubChem CID83182367
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC NameN-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1c(F)cccc1OC
InChIInChI=1S/C16H20FNO2/c1-3-8-18-14(10-12-7-9-20-11-12)16-13(17)5-4-6-15(16)19-2/h4-7,9,11,14,18H,3,8,10H2,1-2H3
InChIKeyMACCANBXBAAUHV-UHFFFAOYSA-N
XLogP3.71
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83182160
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 65433838
N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030066
1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83183458
1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 104806958
N-[1-(3-chloro-2-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83176143
N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175419
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine
CID 65433257
N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030005
N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029819
1-(2,3-difluorophenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029849
N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 63528602

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine (CID 83182367) is N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)c1c(F)cccc1OC.
What is the InChIKey of N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The InChIKey is MACCANBXBAAUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-3-8-18-14(10-12-7-9-20-11-12)16-13(17)5-4-6-15(16)19-2/h4-7,9,11,14,18H,3,8,10H2,1-2H3.
What are the key properties of N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine has a molecular weight of 277.34 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 83182367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).