3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline

C12H19NO2 — CID 62534298

IUPAC3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
SMILESCOCc1cccc(NC(C)COC)c1
InChIInChI=1S/C12H19NO2/c1-10(8-14-2)13-12-6-4-5-11(7-12)9-15-3/h4-7,10,13H,8-9H2,1-3H3
InChIKeyOQPOEOSIEMEWSF-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.28
Rot. Bonds6

About 3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline

3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline (PubChem CID 62534298) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
PubChem CID62534298
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
SMILESCOCc1cccc(NC(C)COC)c1
InChIInChI=1S/C12H19NO2/c1-10(8-14-2)13-12-6-4-5-11(7-12)9-15-3/h4-7,10,13H,8-9H2,1-3H3
InChIKeyOQPOEOSIEMEWSF-UHFFFAOYSA-N
XLogP2.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43672004
N-hexan-2-yl-3-(methoxymethyl)aniline
CID 43778851
4-[3-(methoxymethyl)anilino]pentan-1-ol
CID 115975845
N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline
CID 62534680
3-(methoxymethyl)-N-methylaniline
CID 23080905
3-[3-(methoxymethyl)anilino]-2-methylbutanoic acid
CID 79392392
tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate
CID 103936425
methyl 3-(1-methoxypropan-2-ylamino)benzoate
CID 62536226
(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol
CID 106931972
3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline
CID 115695260
3-(methoxymethyl)-N-(1-phenylpropyl)aniline
CID 43672251
N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline
CID 43672059

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline?
The IUPAC name of 3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline (CID 62534298) is 3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline?
The canonical SMILES for 3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline is COCc1cccc(NC(C)COC)c1.
What is the InChIKey of 3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline?
The InChIKey is OQPOEOSIEMEWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(8-14-2)13-12-6-4-5-11(7-12)9-15-3/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline?
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline has a molecular weight of 209.29 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline is sourced from PubChem (CID 62534298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).