N-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine

C12H21NOS — CID 65135418

IUPACN-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCCNC(CSCC(C)C)c1ccco1
InChIInChI=1S/C12H21NOS/c1-4-13-11(9-15-8-10(2)3)12-6-5-7-14-12/h5-7,10-11,13H,4,8-9H2,1-3H3
InChIKeyIAFJBAUQBLOTPN-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.32
Rot. Bonds7

About N-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine

N-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine (PubChem CID 65135418) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
PubChem CID65135418
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCCNC(CSCC(C)C)c1ccco1
InChIInChI=1S/C12H21NOS/c1-4-13-11(9-15-8-10(2)3)12-6-5-7-14-12/h5-7,10-11,13H,4,8-9H2,1-3H3
InChIKeyIAFJBAUQBLOTPN-UHFFFAOYSA-N
XLogP3.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 66066591
N-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine
CID 115002660
N,3-diethyl-1-(furan-2-yl)pentan-1-amine
CID 82922422
1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
CID 62577775
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine
CID 66073333
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114728971
N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 64611527
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 106645644
N-ethyl-2-(2-methylpropylsulfanyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 65134970
N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143764
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 107884660
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 106942556

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine?
The IUPAC name of N-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine (CID 65135418) is N-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine?
The canonical SMILES for N-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine is CCNC(CSCC(C)C)c1ccco1.
What is the InChIKey of N-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine?
The InChIKey is IAFJBAUQBLOTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-13-11(9-15-8-10(2)3)12-6-5-7-14-12/h5-7,10-11,13H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine?
N-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine has a molecular weight of 227.37 g/mol, XLogP of 3.32, 7 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-(2-methylpropylsulfanyl)ethanamine is sourced from PubChem (CID 65135418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).