N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine

C16H25NO2 — CID 105350924

IUPACN-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine
SMILESCCNCC(C)c1ccc(COC2CCOC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-17-10-13(2)15-6-4-14(5-7-15)11-19-16-8-9-18-12-16/h4-7,13,16-17H,3,8-12H2,1-2H3
InChIKeyIKBWWOBYFLIGCW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.71
Rot. Bonds7

About N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine

N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine (PubChem CID 105350924) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine
PubChem CID105350924
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine
SMILESCCNCC(C)c1ccc(COC2CCOC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-17-10-13(2)15-6-4-14(5-7-15)11-19-16-8-9-18-12-16/h4-7,13,16-17H,3,8-12H2,1-2H3
InChIKeyIKBWWOBYFLIGCW-UHFFFAOYSA-N
XLogP2.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine
CID 102608263
N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine
CID 102608238
2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine
CID 105350921
2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine
CID 105351097
N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine
CID 63557703
2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine
CID 105348988
N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine
CID 105348984
1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63559434
N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine
CID 63556926
N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63557924
1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine
CID 63558840
2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide
CID 105351515

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine (CID 105350924) is N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine is CCNCC(C)c1ccc(COC2CCOC2)cc1.
What is the InChIKey of N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine?
The InChIKey is IKBWWOBYFLIGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-17-10-13(2)15-6-4-14(5-7-15)11-19-16-8-9-18-12-16/h4-7,13,16-17H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine?
N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine is sourced from PubChem (CID 105350924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).