N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine

C17H23NO2 — CID 106888367

IUPACN-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
SMILESCOc1cc(C)cc(C)c1-c1ccoc1CNC(C)C
InChIInChI=1S/C17H23NO2/c1-11(2)18-10-16-14(6-7-20-16)17-13(4)8-12(3)9-15(17)19-5/h6-9,11,18H,10H2,1-5H3
InChIKeyWOPMZJBWEACPDE-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.07
Rot. Bonds5

About N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine

N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106888367) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
PubChem CID106888367
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
SMILESCOc1cc(C)cc(C)c1-c1ccoc1CNC(C)C
InChIInChI=1S/C17H23NO2/c1-11(2)18-10-16-14(6-7-20-16)17-13(4)8-12(3)9-15(17)19-5/h6-9,11,18H,10H2,1-5H3
InChIKeyWOPMZJBWEACPDE-UHFFFAOYSA-N
XLogP4.07
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888680
N-[[3-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887918
N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887808
N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62450301
N-[(2,6-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 145435829
N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine
CID 106888284
1-(2-methoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine
CID 115651493
N-ethyl-1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681143
3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine
CID 98783993
N-[[3-(2-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106887009
N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine
CID 106887002
N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886897

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine (CID 106888367) is N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine is COc1cc(C)cc(C)c1-c1ccoc1CNC(C)C.
What is the InChIKey of N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is WOPMZJBWEACPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11(2)18-10-16-14(6-7-20-16)17-13(4)8-12(3)9-15(17)19-5/h6-9,11,18H,10H2,1-5H3.
What are the key properties of N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine?
N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106888367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).