1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine

C14H17NOS — CID 106848987

IUPAC1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine
SMILESCCSc1ccc(C(NC)c2ccoc2)cc1
InChIInChI=1S/C14H17NOS/c1-3-17-13-6-4-11(5-7-13)14(15-2)12-8-9-16-10-12/h4-10,14-15H,3H2,1-2H3
InChIKeyAMABCHSDPLKPGP-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.70
Rot. Bonds5

About 1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine

1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine (PubChem CID 106848987) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine
PubChem CID106848987
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine
SMILESCCSc1ccc(C(NC)c2ccoc2)cc1
InChIInChI=1S/C14H17NOS/c1-3-17-13-6-4-11(5-7-13)14(15-2)12-8-9-16-10-12/h4-10,14-15H,3H2,1-2H3
InChIKeyAMABCHSDPLKPGP-UHFFFAOYSA-N
XLogP3.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 106849348
(4-ethylsulfanylphenyl)-(furan-3-yl)methanamine
CID 106848700
N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 115855604
3-ethylsulfanylfuran
CID 173392282
N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625464
1-(4-fluoro-3-methylphenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 63949186
1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106849011
1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol
CID 116859470
1-(furan-3-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105146777
1-(furan-3-yl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43487185
1-(4-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106848824
1-(3-bromophenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 63948375

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine (CID 106848987) is 1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine is CCSc1ccc(C(NC)c2ccoc2)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine?
The InChIKey is AMABCHSDPLKPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-3-17-13-6-4-11(5-7-13)14(15-2)12-8-9-16-10-12/h4-10,14-15H,3H2,1-2H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine?
1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 106848987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).