1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine

C17H23NO2 — CID 62920362

IUPAC1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(NC)c2ccc(CC)o2)c1
InChIInChI=1S/C17H23NO2/c1-4-11-19-15-8-6-7-13(12-15)17(18-3)16-10-9-14(5-2)20-16/h6-10,12,17-18H,4-5,11H2,1-3H3
InChIKeyBICUQFDVMIDOAS-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.94
Rot. Bonds7

About 1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine

1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine (PubChem CID 62920362) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine
PubChem CID62920362
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(NC)c2ccc(CC)o2)c1
InChIInChI=1S/C17H23NO2/c1-4-11-19-15-8-6-7-13(12-15)17(18-3)16-10-9-14(5-2)20-16/h6-10,12,17-18H,4-5,11H2,1-3H3
InChIKeyBICUQFDVMIDOAS-UHFFFAOYSA-N
XLogP3.94
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 79723526
N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine
CID 115794851
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
[(5-ethylfuran-2-yl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326476
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 107561661
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 105025977
1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 62346046
N-[phenyl-(3-propoxyphenyl)methyl]ethanamine
CID 62920706
1-(5-ethylfuran-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 79095977
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
CID 115842505

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine (CID 62920362) is 1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine is CCCOc1cccc(C(NC)c2ccc(CC)o2)c1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine?
The InChIKey is BICUQFDVMIDOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-11-19-15-8-6-7-13(12-15)17(18-3)16-10-9-14(5-2)20-16/h6-10,12,17-18H,4-5,11H2,1-3H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine?
1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine has a molecular weight of 273.38 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 62920362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).