N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine

C14H21NO2 — CID 63557703

IUPACN-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1COC1CCOC1
InChIInChI=1S/C14H21NO2/c1-2-15-9-12-5-3-4-6-13(12)10-17-14-7-8-16-11-14/h3-6,14-15H,2,7-11H2,1H3
InChIKeyGEWVLDAWCGOTCV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds6

About N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine

N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine (PubChem CID 63557703) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine
PubChem CID63557703
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1COC1CCOC1
InChIInChI=1S/C14H21NO2/c1-2-15-9-12-5-3-4-6-13(12)10-17-14-7-8-16-11-14/h3-6,14-15H,2,7-11H2,1H3
InChIKeyGEWVLDAWCGOTCV-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine
CID 63556926
2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine
CID 115465001
N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63556330
2-[2-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 113314325
N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 62445478
N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63557924
N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 107695497
N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine
CID 105350924
N-[[3-bromo-2-(oxan-4-yloxy)phenyl]methyl]ethanamine
CID 63936416
2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 115464442
N-[[3-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63556352
N-[[3-bromo-2-(oxan-3-yloxy)phenyl]methyl]ethanamine
CID 107134326

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine (CID 63557703) is N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine is CCNCc1ccccc1COC1CCOC1.
What is the InChIKey of N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine?
The InChIKey is GEWVLDAWCGOTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-15-9-12-5-3-4-6-13(12)10-17-14-7-8-16-11-14/h3-6,14-15H,2,7-11H2,1H3.
What are the key properties of N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine?
N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63557703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).