N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine

C16H21NO2S — CID 63648919

IUPACN-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCSc1ccc(OCc2occc2CNC(C)C)cc1
InChIInChI=1S/C16H21NO2S/c1-12(2)17-10-13-8-9-18-16(13)11-19-14-4-6-15(20-3)7-5-14/h4-9,12,17H,10-11H2,1-3H3
InChIKeyBFMHXWKTYDRIDG-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.08
Rot. Bonds7

About N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine

N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 63648919) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID63648919
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCSc1ccc(OCc2occc2CNC(C)C)cc1
InChIInChI=1S/C16H21NO2S/c1-12(2)17-10-13-8-9-18-16(13)11-19-14-4-6-15(20-3)7-5-14/h4-9,12,17H,10-11H2,1-3H3
InChIKeyBFMHXWKTYDRIDG-UHFFFAOYSA-N
XLogP4.08
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine
CID 63648415
N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62452160
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62452883
N-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62459920
N-[[2-[(5-fluoro-2-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 102986350
N-[[2-(prop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62442277
2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451256
N-[[2-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62458317
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62445578
N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62450301
N-[[2-(cyclopentylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 66323355
N-[[3-[(3-bromo-5-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 81325773

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine (CID 63648919) is N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine is CSc1ccc(OCc2occc2CNC(C)C)cc1.
What is the InChIKey of N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is BFMHXWKTYDRIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-12(2)17-10-13-8-9-18-16(13)11-19-14-4-6-15(20-3)7-5-14/h4-9,12,17H,10-11H2,1-3H3.
What are the key properties of N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 291.42 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63648919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).