N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine

C17H23NO2 — CID 62445521

IUPACN-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1oc(COC(C)c2ccccc2)cc1C
InChIInChI=1S/C17H23NO2/c1-4-18-11-17-13(2)10-16(20-17)12-19-14(3)15-8-6-5-7-9-15/h5-10,14,18H,4,11-12H2,1-3H3
InChIKeyISQYMKAWYKGFMC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.98
Rot. Bonds7

About N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine

N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine (PubChem CID 62445521) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine
PubChem CID62445521
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1oc(COC(C)c2ccccc2)cc1C
InChIInChI=1S/C17H23NO2/c1-4-18-11-17-13(2)10-16(20-17)12-19-14(3)15-8-6-5-7-9-15/h5-10,14,18H,4,11-12H2,1-3H3
InChIKeyISQYMKAWYKGFMC-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 63649074
N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]ethanamine
CID 106449758
N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62449858
N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine
CID 62456796
N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62444712
N-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine
CID 62444589
N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62548082
2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62453088
2-methyl-N-[[5-(1-phenylethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444776
N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62443630
N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 83233998
N-[[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63492504

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine (CID 62445521) is N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine is CCNCc1oc(COC(C)c2ccccc2)cc1C.
What is the InChIKey of N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is ISQYMKAWYKGFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-18-11-17-13(2)10-16(20-17)12-19-14(3)15-8-6-5-7-9-15/h5-10,14,18H,4,11-12H2,1-3H3.
What are the key properties of N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine?
N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62445521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).