4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline

C12H19NO4 — CID 83008789

IUPAC4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline
SMILESCOCC(C)Oc1cc(OC)c(OC)cc1N
InChIInChI=1S/C12H19NO4/c1-8(7-14-2)17-10-6-12(16-4)11(15-3)5-9(10)13/h5-6,8H,7,13H2,1-4H3
InChIKeyUYKLXNAIIXYUCN-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.70
Rot. Bonds6

About 4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline

4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline (PubChem CID 83008789) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline
PubChem CID83008789
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline
SMILESCOCC(C)Oc1cc(OC)c(OC)cc1N
InChIInChI=1S/C12H19NO4/c1-8(7-14-2)17-10-6-12(16-4)11(15-3)5-9(10)13/h5-6,8H,7,13H2,1-4H3
InChIKeyUYKLXNAIIXYUCN-UHFFFAOYSA-N
XLogP1.70
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-5-iodo-2-(1-methoxypropan-2-yloxy)aniline
CID 66099971
4-bromo-2-(1-methoxypropan-2-yloxy)aniline
CID 65342707
(1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 78960200
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline
CID 102721644
4,5-dimethoxy-2-(2-methylpentoxy)aniline
CID 103282951
2-methoxy-4-[(2R)-1-methoxypropan-2-yl]oxy-1-methylbenzene
CID 70331911
1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene
CID 70331927
2-amino-4-methoxy-5-pentan-2-yloxybenzoic acid
CID 107895818
[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]methanol
CID 107698403
1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane
CID 90686409
4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline
CID 83008446
5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide
CID 79904949

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline?
The IUPAC name of 4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline (CID 83008789) is 4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline.
What is the SMILES notation for 4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline?
The canonical SMILES for 4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline is COCC(C)Oc1cc(OC)c(OC)cc1N.
What is the InChIKey of 4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline?
The InChIKey is UYKLXNAIIXYUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8(7-14-2)17-10-6-12(16-4)11(15-3)5-9(10)13/h5-6,8H,7,13H2,1-4H3.
What are the key properties of 4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline?
4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline has a molecular weight of 241.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline is sourced from PubChem (CID 83008789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).