N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine

C16H25NO2 — CID 102940532

IUPACN-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(COCc2ccccc2)CCOC1
InChIInChI=1S/C16H25NO2/c1-14(2)17-11-16(8-9-18-12-16)13-19-10-15-6-4-3-5-7-15/h3-7,14,17H,8-13H2,1-2H3
InChIKeyAEFZBEOWRNYERH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.61
Rot. Bonds7

About N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine

N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 102940532) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID102940532
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(COCc2ccccc2)CCOC1
InChIInChI=1S/C16H25NO2/c1-14(2)17-11-16(8-9-18-12-16)13-19-10-15-6-4-3-5-7-15/h3-7,14,17H,8-13H2,1-2H3
InChIKeyAEFZBEOWRNYERH-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 102940549
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine
CID 102940530
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-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55111579
N-methyl-1-[1-(phenylmethoxymethyl)cyclopentyl]methanamine
CID 102940486
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718517
2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine
CID 102940491
N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718677

Frequently Asked Questions

What is the IUPAC name of N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine (CID 102940532) is N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(COCc2ccccc2)CCOC1.
What is the InChIKey of N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is AEFZBEOWRNYERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14(2)17-11-16(8-9-18-12-16)13-19-10-15-6-4-3-5-7-15/h3-7,14,17H,8-13H2,1-2H3.
What are the key properties of N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine?
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.61, 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]propan-2-amine is sourced from PubChem (CID 102940532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).