N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine

C17H23NO2 — CID 62548921

IUPACN-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine
SMILESCCCc1ccc(OCc2cc(CNCC)co2)cc1
InChIInChI=1S/C17H23NO2/c1-3-5-14-6-8-16(9-7-14)20-13-17-10-15(12-19-17)11-18-4-2/h6-10,12,18H,3-5,11,13H2,1-2H3
InChIKeyUTYLHTHHAKACCT-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.92
Rot. Bonds8

About N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine

N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine (PubChem CID 62548921) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine
PubChem CID62548921
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine
SMILESCCCc1ccc(OCc2cc(CNCC)co2)cc1
InChIInChI=1S/C17H23NO2/c1-3-5-14-6-8-16(9-7-14)20-13-17-10-15(12-19-17)11-18-4-2/h6-10,12,18H,3-5,11,13H2,1-2H3
InChIKeyUTYLHTHHAKACCT-UHFFFAOYSA-N
XLogP3.92
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452104
N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62548082
[5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine
CID 115493308
N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine
CID 64601411
2-methyl-N-[[5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451987
N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62453015
N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine
CID 62450269
N-[[5-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62451469
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 107286269
N-[[5-[(4-propylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62548925
N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine
CID 62486002
N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine
CID 62453127

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine (CID 62548921) is N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine is CCCc1ccc(OCc2cc(CNCC)co2)cc1.
What is the InChIKey of N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The InChIKey is UTYLHTHHAKACCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-5-14-6-8-16(9-7-14)20-13-17-10-15(12-19-17)11-18-4-2/h6-10,12,18H,3-5,11,13H2,1-2H3.
What are the key properties of N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62548921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).