N-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine

C16H20FNOS — CID 107780678

IUPACN-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Sc2ccoc2C)c(F)c1
InChIInChI=1S/C16H20FNOS/c1-4-8-18-11(2)13-5-6-16(14(17)10-13)20-15-7-9-19-12(15)3/h5-7,9-11,18H,4,8H2,1-3H3
InChIKeyDYROPGKFRUZYGN-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.94
Rot. Bonds6

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

N-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine (PubChem CID 107780678) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine
PubChem CID107780678
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC NameN-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Sc2ccoc2C)c(F)c1
InChIInChI=1S/C16H20FNOS/c1-4-8-18-11(2)13-5-6-16(14(17)10-13)20-15-7-9-19-12(15)3/h5-7,9-11,18H,4,8H2,1-3H3
InChIKeyDYROPGKFRUZYGN-UHFFFAOYSA-N
XLogP4.94
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine
CID 43286080
N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 60884515
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-[1-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 63533344
1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine
CID 43286578
2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
CID 29080220
1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine
CID 107784170
1-[4-(3,4-dimethylphenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine
CID 43286392
N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285404
N-[1-(3-bromo-4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 62912795
3-[[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114492396
2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline
CID 43526990

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine (CID 107780678) is N-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(Sc2ccoc2C)c(F)c1.
What is the InChIKey of N-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine?
The InChIKey is DYROPGKFRUZYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-4-8-18-11(2)13-5-6-16(14(17)10-13)20-15-7-9-19-12(15)3/h5-7,9-11,18H,4,8H2,1-3H3.
What are the key properties of N-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine?
N-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine is sourced from PubChem (CID 107780678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).