N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine

C15H19NO2S — CID 55246356

IUPACN-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine
SMILESCNCc1cc(COc2ccc(SC)cc2)c(C)o1
InChIInChI=1S/C15H19NO2S/c1-11-12(8-14(18-11)9-16-2)10-17-13-4-6-15(19-3)7-5-13/h4-8,16H,9-10H2,1-3H3
InChIKeyOZVPSPACWJQCNX-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.61
Rot. Bonds6

About N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine

N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine (PubChem CID 55246356) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine
PubChem CID55246356
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine
SMILESCNCc1cc(COc2ccc(SC)cc2)c(C)o1
InChIInChI=1S/C15H19NO2S/c1-11-12(8-14(18-11)9-16-2)10-17-13-4-6-15(19-3)7-5-13/h4-8,16H,9-10H2,1-3H3
InChIKeyOZVPSPACWJQCNX-UHFFFAOYSA-N
XLogP3.61
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62454585
1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62486591
N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine
CID 63648415
N-[[4-[(4-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62453033
2-methyl-N-[[5-methyl-4-(phenoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62454665
1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 55077983
1-[5-[(3,5-difluorophenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62784341
1-[4-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 107661115
1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62442170
N-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine
CID 62444589
N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 63877651
[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine
CID 80733329

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine (CID 55246356) is N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine is CNCc1cc(COc2ccc(SC)cc2)c(C)o1.
What is the InChIKey of N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is OZVPSPACWJQCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-11-12(8-14(18-11)9-16-2)10-17-13-4-6-15(19-3)7-5-13/h4-8,16H,9-10H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine?
N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine has a molecular weight of 277.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 55246356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).