N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine

C18H25NOS — CID 107784290

IUPACN-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCCNC(CSc1ccoc1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H25NOS/c1-6-19-16(11-21-17-7-8-20-15(17)5)18-13(3)9-12(2)10-14(18)4/h7-10,16,19H,6,11H2,1-5H3
InChIKeyHFMCPANQQISPBT-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.96
Rot. Bonds6

About N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine

N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 107784290) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID107784290
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCCNC(CSc1ccoc1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H25NOS/c1-6-19-16(11-21-17-7-8-20-15(17)5)18-13(3)9-12(2)10-14(18)4/h7-10,16,19H,6,11H2,1-5H3
InChIKeyHFMCPANQQISPBT-UHFFFAOYSA-N
XLogP4.96
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine (CID 107784290) is N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine is CCNC(CSc1ccoc1C)c1c(C)cc(C)cc1C.
What is the InChIKey of N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is HFMCPANQQISPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-6-19-16(11-21-17-7-8-20-15(17)5)18-13(3)9-12(2)10-14(18)4/h7-10,16,19H,6,11H2,1-5H3.
What are the key properties of N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 303.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 107784290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).