N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine

C15H27NO3 — CID 103490491

IUPACN-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCC(C)OCc1cc(CNCC(C)C)co1
InChIInChI=1S/C15H27NO3/c1-5-17-9-13(4)18-11-15-6-14(10-19-15)8-16-7-12(2)3/h6,10,12-13,16H,5,7-9,11H2,1-4H3
InChIKeySXIHUZLTTJEBRL-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.97
Rot. Bonds10

About N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine

N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 103490491) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID103490491
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCC(C)OCc1cc(CNCC(C)C)co1
InChIInChI=1S/C15H27NO3/c1-5-17-9-13(4)18-11-15-6-14(10-19-15)8-16-7-12(2)3/h6,10,12-13,16H,5,7-9,11H2,1-4H3
InChIKeySXIHUZLTTJEBRL-UHFFFAOYSA-N
XLogP2.97
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62443435
2-methyl-N-[[5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451987
N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 64739134
N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 114342453
N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62453015
2-methyl-N-[[5-(oxolan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62443834
N-[[5-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63498761
2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 116793496
N-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine
CID 103490482
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63497529
N-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481377
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62445450

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine (CID 103490491) is N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine is CCOCC(C)OCc1cc(CNCC(C)C)co1.
What is the InChIKey of N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is SXIHUZLTTJEBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-17-9-13(4)18-11-15-6-14(10-19-15)8-16-7-12(2)3/h6,10,12-13,16H,5,7-9,11H2,1-4H3.
What are the key properties of N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103490491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).