3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline

C13H19NO2 — CID 43672256

IUPAC3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline
SMILESCOCc1cccc(NCC2CCOC2)c1
InChIInChI=1S/C13H19NO2/c1-15-9-11-3-2-4-13(7-11)14-8-12-5-6-16-10-12/h2-4,7,12,14H,5-6,8-10H2,1H3
InChIKeyYGJVEVRICWIHCC-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.28
Rot. Bonds5

About 3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline

3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline (PubChem CID 43672256) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline
PubChem CID43672256
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline
SMILESCOCc1cccc(NCC2CCOC2)c1
InChIInChI=1S/C13H19NO2/c1-15-9-11-3-2-4-13(7-11)14-8-12-5-6-16-10-12/h2-4,7,12,14H,5-6,8-10H2,1H3
InChIKeyYGJVEVRICWIHCC-UHFFFAOYSA-N
XLogP2.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline?
The IUPAC name of 3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline (CID 43672256) is 3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline?
The canonical SMILES for 3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline is COCc1cccc(NCC2CCOC2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline?
The InChIKey is YGJVEVRICWIHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-9-11-3-2-4-13(7-11)14-8-12-5-6-16-10-12/h2-4,7,12,14H,5-6,8-10H2,1H3.
What are the key properties of 3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline?
3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline has a molecular weight of 221.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline is sourced from PubChem (CID 43672256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).