N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline

C15H25NO2 — CID 43716743

IUPACN-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline
SMILESCCC(CC)CNc1cc(OC)c(OC)cc1C
InChIInChI=1S/C15H25NO2/c1-6-12(7-2)10-16-13-9-15(18-5)14(17-4)8-11(13)3/h8-9,12,16H,6-7,10H2,1-5H3
InChIKeyGXFGDEOFEQEGHP-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.86
Rot. Bonds7

About N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline

N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline (PubChem CID 43716743) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline.

Molecular Properties

Compound NameN-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline
PubChem CID43716743
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline
SMILESCCC(CC)CNc1cc(OC)c(OC)cc1C
InChIInChI=1S/C15H25NO2/c1-6-12(7-2)10-16-13-9-15(18-5)14(17-4)8-11(13)3/h8-9,12,16H,6-7,10H2,1-5H3
InChIKeyGXFGDEOFEQEGHP-UHFFFAOYSA-N
XLogP3.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 115251203
N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
CID 60961963
5-chloro-N-(2-ethylbutyl)-2-methoxyaniline
CID 29289314
4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline
CID 98783881
1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
CID 115196260
N-hexyl-4,5-dimethoxy-2-methylaniline
CID 43228540
3-amino-4-(4,5-dimethoxy-2-methylanilino)butanoic acid
CID 115241480
1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol
CID 115136773
N-(2-ethylbutyl)-3-methoxy-2,4-dimethylaniline
CID 43738989
1-(4,5-dimethoxy-2-methylanilino)propan-2-one
CID 115234469
3-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2,3-triamine
CID 115119373
N-(2-ethylbutyl)-2,4-dimethyl-5-nitroaniline
CID 113449716

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline?
The IUPAC name of N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline (CID 43716743) is N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline.
What is the SMILES notation for N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline?
The canonical SMILES for N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline is CCC(CC)CNc1cc(OC)c(OC)cc1C.
What is the InChIKey of N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline?
The InChIKey is GXFGDEOFEQEGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-12(7-2)10-16-13-9-15(18-5)14(17-4)8-11(13)3/h8-9,12,16H,6-7,10H2,1-5H3.
What are the key properties of N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline?
N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline has a molecular weight of 251.37 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline is sourced from PubChem (CID 43716743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).