N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine

C16H20FNO — CID 114821262

IUPACN-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)c1coc(C)c1
InChIInChI=1S/C16H20FNO/c1-3-8-18-16(14-9-12(2)19-11-14)10-13-4-6-15(17)7-5-13/h4-7,9,11,16,18H,3,8,10H2,1-2H3
InChIKeyKILRTKGCSVNJND-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.01
Rot. Bonds6

About N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine

N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine (PubChem CID 114821262) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
PubChem CID114821262
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)c1coc(C)c1
InChIInChI=1S/C16H20FNO/c1-3-8-18-16(14-9-12(2)19-11-14)10-13-4-6-15(17)7-5-13/h4-7,9,11,16,18H,3,8,10H2,1-2H3
InChIKeyKILRTKGCSVNJND-UHFFFAOYSA-N
XLogP4.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-difluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821327
N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 107891629
N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821315
N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 115374313
N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63417284
2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842885
N-[1-(3-bromophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818147
N-[2-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 63414506
1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine
CID 115814330
3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine
CID 115846210
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 114821279

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine (CID 114821262) is N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1)c1coc(C)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine?
The InChIKey is KILRTKGCSVNJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-3-8-18-16(14-9-12(2)19-11-14)10-13-4-6-15(17)7-5-13/h4-7,9,11,16,18H,3,8,10H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine?
N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114821262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).