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

C17H23NO2 — CID 106888317

IUPACN-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1ccc(C)c(C)c1OC
InChIInChI=1S/C17H23NO2/c1-5-9-18-11-16-14(8-10-20-16)15-7-6-12(2)13(3)17(15)19-4/h6-8,10,18H,5,9,11H2,1-4H3
InChIKeyKHWHBUGPAOAJQL-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.07
Rot. Bonds6

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

N-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 106888317) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
PubChem CID106888317
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1ccc(C)c(C)c1OC
InChIInChI=1S/C17H23NO2/c1-5-9-18-11-16-14(8-10-20-16)15-7-6-12(2)13(3)17(15)19-4/h6-8,10,18H,5,9,11H2,1-4H3
InChIKeyKHWHBUGPAOAJQL-UHFFFAOYSA-N
XLogP4.07
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887023
N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887808
N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine
CID 106886805
N-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine
CID 106887974
N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine
CID 106887842
N-[[4-(2-methoxy-3,4-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 103434154
N-[[3-(1,4-dimethylpyrazol-5-yl)furan-2-yl]methyl]propan-1-amine
CID 112742390
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine
CID 106887026
N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine
CID 106887380
N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine
CID 106887175
N-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine
CID 97179136
N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62459058

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine (CID 106888317) is N-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1-c1ccc(C)c(C)c1OC.
What is the InChIKey of N-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is KHWHBUGPAOAJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-5-9-18-11-16-14(8-10-20-16)15-7-6-12(2)13(3)17(15)19-4/h6-8,10,18H,5,9,11H2,1-4H3.
What are the key properties of N-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106888317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).