N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine

C13H21NO2 — CID 62457249

IUPACN-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COCC2CC2)oc1C
InChIInChI=1S/C13H21NO2/c1-3-14-7-12-6-13(16-10(12)2)9-15-8-11-4-5-11/h6,11,14H,3-5,7-9H2,1-2H3
InChIKeyJQQQOLWOVUEJCE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.62
Rot. Bonds7

About N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine

N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine (PubChem CID 62457249) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
PubChem CID62457249
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COCC2CC2)oc1C
InChIInChI=1S/C13H21NO2/c1-3-14-7-12-6-13(16-10(12)2)9-15-8-11-4-5-11/h6,11,14H,3-5,7-9H2,1-2H3
InChIKeyJQQQOLWOVUEJCE-UHFFFAOYSA-N
XLogP2.62
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(cyclopentylmethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 66323991
2-methyl-N-[[2-methyl-5-(oxan-4-ylmethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62484927
N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62455820
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 103406053
N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 55077940
N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 65125800
N-[[2-methyl-5-[(1-methylpiperidin-4-yl)oxymethyl]furan-3-yl]methyl]ethanamine
CID 62443209
N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62445490
N-[[5-[(3,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453235
N-[[5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]ethanamine
CID 62486908
N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 66324001
N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558241

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine (CID 62457249) is N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine is CCNCc1cc(COCC2CC2)oc1C.
What is the InChIKey of N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine?
The InChIKey is JQQQOLWOVUEJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-14-7-12-6-13(16-10(12)2)9-15-8-11-4-5-11/h6,11,14H,3-5,7-9H2,1-2H3.
What are the key properties of N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine?
N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine is sourced from PubChem (CID 62457249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).