N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine

C17H23NO3 — CID 62458167

IUPACN-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
SMILESCOc1ccc(OCc2cc(CNC(C)C)c(C)o2)cc1
InChIInChI=1S/C17H23NO3/c1-12(2)18-10-14-9-17(21-13(14)3)11-20-16-7-5-15(19-4)6-8-16/h5-9,12,18H,10-11H2,1-4H3
InChIKeyBMLBRCXJMWQNLB-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.67
Rot. Bonds7

About N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine

N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine (PubChem CID 62458167) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
PubChem CID62458167
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
SMILESCOc1ccc(OCc2cc(CNC(C)C)c(C)o2)cc1
InChIInChI=1S/C17H23NO3/c1-12(2)18-10-14-9-17(21-13(14)3)11-20-16-7-5-15(19-4)6-8-16/h5-9,12,18H,10-11H2,1-4H3
InChIKeyBMLBRCXJMWQNLB-UHFFFAOYSA-N
XLogP3.67
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451623
N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 63647388
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
N-[[5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 114676848
N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62449443
N-[[4-[(3,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 63496300
N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62443396
N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine
CID 62445863
N-[[2-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 82957504
N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62452453
2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran
CID 117185820
N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine
CID 62455543

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine (CID 62458167) is N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine is COc1ccc(OCc2cc(CNC(C)C)c(C)o2)cc1.
What is the InChIKey of N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine?
The InChIKey is BMLBRCXJMWQNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(2)18-10-14-9-17(21-13(14)3)11-20-16-7-5-15(19-4)6-8-16/h5-9,12,18H,10-11H2,1-4H3.
What are the key properties of N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine?
N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62458167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).