N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine

C17H23NO2S — CID 63647388

IUPACN-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCSc1ccccc1OCc1cc(CNC(C)C)c(C)o1
InChIInChI=1S/C17H23NO2S/c1-12(2)18-10-14-9-15(20-13(14)3)11-19-16-7-5-6-8-17(16)21-4/h5-9,12,18H,10-11H2,1-4H3
InChIKeyBOJZKQWDDYUJCX-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.39
Rot. Bonds7

About N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine

N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 63647388) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID63647388
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCSc1ccccc1OCc1cc(CNC(C)C)c(C)o1
InChIInChI=1S/C17H23NO2S/c1-12(2)18-10-14-9-15(20-13(14)3)11-19-16-7-5-6-8-17(16)21-4/h5-9,12,18H,10-11H2,1-4H3
InChIKeyBOJZKQWDDYUJCX-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 114676848
N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62458167
N-[[3-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 63649074
2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-carboxylic acid
CID 63647950
N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62443396
N-methyl-1-[2-methyl-5-[(2-methylphenoxy)methyl]furan-3-yl]methanamine
CID 62453604
N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63648734
N-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine
CID 76943559
N-[[2-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 82957504
N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine
CID 62445863
N-[[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62452838
N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62460704

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine (CID 63647388) is N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine is CSc1ccccc1OCc1cc(CNC(C)C)c(C)o1.
What is the InChIKey of N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is BOJZKQWDDYUJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-12(2)18-10-14-9-15(20-13(14)3)11-19-16-7-5-6-8-17(16)21-4/h5-9,12,18H,10-11H2,1-4H3.
What are the key properties of N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 305.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63647388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).