N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine

C18H25NO2 — CID 62548082

IUPACN-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCCc1ccc(OCc2cc(C)c(CNCC)o2)cc1
InChIInChI=1S/C18H25NO2/c1-4-6-15-7-9-16(10-8-15)20-13-17-11-14(3)18(21-17)12-19-5-2/h7-11,19H,4-6,12-13H2,1-3H3
InChIKeyJCTBBLWXWVNIQZ-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.23
Rot. Bonds8

About N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine

N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 62548082) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine
PubChem CID62548082
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCCc1ccc(OCc2cc(C)c(CNCC)o2)cc1
InChIInChI=1S/C18H25NO2/c1-4-6-15-7-9-16(10-8-15)20-13-17-11-14(3)18(21-17)12-19-5-2/h7-11,19H,4-6,12-13H2,1-3H3
InChIKeyJCTBBLWXWVNIQZ-UHFFFAOYSA-N
XLogP4.23
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-methyl-1-[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methanamine
CID 62548081
N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62449858
N-[[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62453750
N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 83233998
N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62548921
N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 81325778
N-[[3-methyl-5-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]ethanamine
CID 62450592
1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 55077027
N-[[3-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 63649074
N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62444712
N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62449443
N-[[5-[(2,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62453045

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine (CID 62548082) is N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine is CCCc1ccc(OCc2cc(C)c(CNCC)o2)cc1.
What is the InChIKey of N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is JCTBBLWXWVNIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-6-15-7-9-16(10-8-15)20-13-17-11-14(3)18(21-17)12-19-5-2/h7-11,19H,4-6,12-13H2,1-3H3.
What are the key properties of N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 287.40 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62548082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).