N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine

C15H23NO2 — CID 102940530

IUPACN-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(COCc2ccccc2)CCOC1
InChIInChI=1S/C15H23NO2/c1-2-16-11-15(8-9-17-12-15)13-18-10-14-6-4-3-5-7-14/h3-7,16H,2,8-13H2,1H3
InChIKeyNNOJGDOODNZHKR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.22
Rot. Bonds7

About N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine

N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 102940530) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine
PubChem CID102940530
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(COCc2ccccc2)CCOC1
InChIInChI=1S/C15H23NO2/c1-2-16-11-15(8-9-17-12-15)13-18-10-14-6-4-3-5-7-14/h3-7,16H,2,8-13H2,1H3
InChIKeyNNOJGDOODNZHKR-UHFFFAOYSA-N
XLogP2.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
CID 102940532
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 102940533
3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane
CID 143199326
3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine
CID 102940561
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine
CID 62904851
N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 55111300
N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 102940549
N-methyl-1-[1-(phenylmethoxymethyl)cyclopentyl]methanamine
CID 102940486
N-[[4-(2-phenylsulfanylethyl)oxan-4-yl]methyl]ethanamine
CID 79228269
4-N,4-N-bis[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59372141

Frequently Asked Questions

What is the IUPAC name of N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine (CID 102940530) is N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine is CCNCC1(COCc2ccccc2)CCOC1.
What is the InChIKey of N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is NNOJGDOODNZHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-16-11-15(8-9-17-12-15)13-18-10-14-6-4-3-5-7-14/h3-7,16H,2,8-13H2,1H3.
What are the key properties of N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine?
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 102940530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).