1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine

C17H23NO2S — CID 43781433

IUPAC1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
SMILESCOc1ccc(C)cc1C(C)NCc1ccc(CSC)o1
InChIInChI=1S/C17H23NO2S/c1-12-5-8-17(19-3)16(9-12)13(2)18-10-14-6-7-15(20-14)11-21-4/h5-9,13,18H,10-11H2,1-4H3
InChIKeyAFZYPXSPYKQCOV-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.31
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine

1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine (PubChem CID 43781433) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
PubChem CID43781433
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
SMILESCOc1ccc(C)cc1C(C)NCc1ccc(CSC)o1
InChIInChI=1S/C17H23NO2S/c1-12-5-8-17(19-3)16(9-12)13(2)18-10-14-6-7-15(20-14)11-21-4/h5-9,13,18H,10-11H2,1-4H3
InChIKeyAFZYPXSPYKQCOV-UHFFFAOYSA-N
XLogP4.31
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81364045
(1S)-1-(4-methoxyphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81370186
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 65246138
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 113262469
(1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397924
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902912
1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 43225409
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225422
5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid
CID 63316923

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine (CID 43781433) is 1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine is COc1ccc(C)cc1C(C)NCc1ccc(CSC)o1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is AFZYPXSPYKQCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-12-5-8-17(19-3)16(9-12)13(2)18-10-14-6-7-15(20-14)11-21-4/h5-9,13,18H,10-11H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 305.44 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 43781433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).