N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine

C15H19NOS — CID 66066591

IUPACN-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1ccc(C)cc1)c1ccco1
InChIInChI=1S/C15H19NOS/c1-3-16-14(15-5-4-10-17-15)11-18-13-8-6-12(2)7-9-13/h4-10,14,16H,3,11H2,1-2H3
InChIKeyGGEFULPPSUADIR-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.03
Rot. Bonds6

About N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine

N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine (PubChem CID 66066591) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine
PubChem CID66066591
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1ccc(C)cc1)c1ccco1
InChIInChI=1S/C15H19NOS/c1-3-16-14(15-5-4-10-17-15)11-18-13-8-6-12(2)7-9-13/h4-10,14,16H,3,11H2,1-2H3
InChIKeyGGEFULPPSUADIR-UHFFFAOYSA-N
XLogP4.03
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine
CID 66073333
N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143764
N-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135418
1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 106653430
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66064232
[1-(furan-2-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237072
N,3-diethyl-1-(furan-2-yl)pentan-1-amine
CID 82922422
N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066786
N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
CID 66066987
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 105395115
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 114656151
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine
CID 64633518

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine?
The IUPAC name of N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine (CID 66066591) is N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine?
The canonical SMILES for N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine is CCNC(CSc1ccc(C)cc1)c1ccco1.
What is the InChIKey of N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine?
The InChIKey is GGEFULPPSUADIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-3-16-14(15-5-4-10-17-15)11-18-13-8-6-12(2)7-9-13/h4-10,14,16H,3,11H2,1-2H3.
What are the key properties of N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine?
N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine has a molecular weight of 261.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66066591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).