4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline

C13H21NO3 — CID 55086474

IUPAC4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline
SMILESCOCC(C)Nc1cc(OC)c(OC)cc1C
InChIInChI=1S/C13H21NO3/c1-9-6-12(16-4)13(17-5)7-11(9)14-10(2)8-15-3/h6-7,10,14H,8H2,1-5H3
InChIKeyVWIBAWDAAREGMN-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.46
Rot. Bonds6

About 4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline

4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline (PubChem CID 55086474) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline.

Molecular Properties

Compound Name4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline
PubChem CID55086474
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline
SMILESCOCC(C)Nc1cc(OC)c(OC)cc1C
InChIInChI=1S/C13H21NO3/c1-9-6-12(16-4)13(17-5)7-11(9)14-10(2)8-15-3/h6-7,10,14H,8H2,1-5H3
InChIKeyVWIBAWDAAREGMN-UHFFFAOYSA-N
XLogP2.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine
CID 103388458
N-(1-ethylsulfonylpropan-2-yl)-4,5-dimethoxy-2-methylaniline
CID 115916509
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 62534108
5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline
CID 94473006
2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 107258627
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride
CID 126809410
4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline
CID 98783881
2-(4,5-dimethoxy-2-methylanilino)propanoic acid
CID 66173318
2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 104726031
methyl 2-(4,5-dimethoxy-2-methylanilino)propanoate
CID 60666932
3-[[(2S)-1-methoxypropan-2-yl]amino]-4-methylbenzonitrile
CID 94474811
4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43716780

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline?
The IUPAC name of 4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline (CID 55086474) is 4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline.
What is the SMILES notation for 4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline?
The canonical SMILES for 4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline is COCC(C)Nc1cc(OC)c(OC)cc1C.
What is the InChIKey of 4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline?
The InChIKey is VWIBAWDAAREGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9-6-12(16-4)13(17-5)7-11(9)14-10(2)8-15-3/h6-7,10,14H,8H2,1-5H3.
What are the key properties of 4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline?
4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline has a molecular weight of 239.31 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline is sourced from PubChem (CID 55086474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).