N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine

C14H17NO2S — CID 63648415

IUPACN-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine
SMILESCNCc1occc1COc1ccc(SC)cc1
InChIInChI=1S/C14H17NO2S/c1-15-9-14-11(7-8-16-14)10-17-12-3-5-13(18-2)6-4-12/h3-8,15H,9-10H2,1-2H3
InChIKeyRDJUJHUHJIEJQA-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.30
Rot. Bonds6

About N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine

N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine (PubChem CID 63648415) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine
PubChem CID63648415
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine
SMILESCNCc1occc1COc1ccc(SC)cc1
InChIInChI=1S/C14H17NO2S/c1-15-9-14-11(7-8-16-14)10-17-12-3-5-13(18-2)6-4-12/h3-8,15H,9-10H2,1-2H3
InChIKeyRDJUJHUHJIEJQA-UHFFFAOYSA-N
XLogP3.30
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 63648919
1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62485941
1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine
CID 62459453
N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine
CID 55246356
N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62449622
1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 107661174
N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine
CID 62457855
N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453896
N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452982
N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine
CID 62548754
N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62459058
1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55077971

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine (CID 63648415) is N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine is CNCc1occc1COc1ccc(SC)cc1.
What is the InChIKey of N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is RDJUJHUHJIEJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-15-9-14-11(7-8-16-14)10-17-12-3-5-13(18-2)6-4-12/h3-8,15H,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine?
N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine has a molecular weight of 263.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 63648415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).