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

C14H25NO3 — CID 103490562

IUPACN-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1COC(C)COCC
InChIInChI=1S/C14H25NO3/c1-4-7-15-9-14-13(6-8-17-14)11-18-12(3)10-16-5-2/h6,8,12,15H,4-5,7,9-11H2,1-3H3
InChIKeyFDGNFTAZGLCVFF-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds10

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

N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 103490562) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID103490562
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1COC(C)COCC
InChIInChI=1S/C14H25NO3/c1-4-7-15-9-14-13(6-8-17-14)11-18-12(3)10-16-5-2/h6,8,12,15H,4-5,7,9-11H2,1-3H3
InChIKeyFDGNFTAZGLCVFF-UHFFFAOYSA-N
XLogP2.72
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62444510
N-[[2-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]ethanamine
CID 103490484
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445527
N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine
CID 102987125
N-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine
CID 103490482
N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62442648
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926
3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide
CID 103490879
N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 65125363
N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62459058
N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62438844
N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62450050

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine (CID 103490562) is N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1COC(C)COCC.
What is the InChIKey of N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is FDGNFTAZGLCVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-7-15-9-14-13(6-8-17-14)11-18-12(3)10-16-5-2/h6,8,12,15H,4-5,7,9-11H2,1-3H3.
What are the key properties of N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 103490562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).