N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine

C18H25NO2 — CID 103435182

IUPACN-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1coc(C)c1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H25NO2/c1-6-9-19-17(15-10-13(3)21-11-15)16-8-7-12(2)14(4)18(16)20-5/h7-8,10-11,17,19H,6,9H2,1-5H3
InChIKeyOWSJETISCQDLEC-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.30
Rot. Bonds6

About N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine

N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine (PubChem CID 103435182) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
PubChem CID103435182
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1coc(C)c1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H25NO2/c1-6-9-19-17(15-10-13(3)21-11-15)16-8-7-12(2)14(4)18(16)20-5/h7-8,10-11,17,19H,6,9H2,1-5H3
InChIKeyOWSJETISCQDLEC-UHFFFAOYSA-N
XLogP4.30
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 103435167
N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 103433341
N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820042
N-[(5-fluoro-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820102
N-[(5-methylfuran-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006407
N-[(2-methoxy-3,4-dimethylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 103433605
N-[(5-methylfuran-3-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 114820083
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820178
N-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820154
N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 115861901
N-[2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103517310
N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 105025942

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine (CID 103435182) is N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1coc(C)c1)c1ccc(C)c(C)c1OC.
What is the InChIKey of N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is OWSJETISCQDLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-6-9-19-17(15-10-13(3)21-11-15)16-8-7-12(2)14(4)18(16)20-5/h7-8,10-11,17,19H,6,9H2,1-5H3.
What are the key properties of N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 103435182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).