1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane

C17H33NO2 — CID 176553687

IUPAC1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
SMILESCC.CC.CCC(N)Cc1cc(OC)c(C)cc1OC
InChIInChI=1S/C13H21NO2.2C2H6/c1-5-11(14)7-10-8-12(15-3)9(2)6-13(10)16-4;2*1-2/h6,8,11H,5,7,14H2,1-4H3;2*1-2H3
InChIKeyNZIOAYLODYBTRA-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.34
Rot. Bonds5

About 1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane

1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane (PubChem CID 176553687) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
PubChem CID176553687
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
SMILESCC.CC.CCC(N)Cc1cc(OC)c(C)cc1OC
InChIInChI=1S/C13H21NO2.2C2H6/c1-5-11(14)7-10-8-12(15-3)9(2)6-13(10)16-4;2*1-2/h6,8,11H,5,7,14H2,1-4H3;2*1-2H3
InChIKeyNZIOAYLODYBTRA-UHFFFAOYSA-N
XLogP4.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 176947219
4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline
CID 54283299
4-(2-aminobutyl)-2,5-dimethoxyaniline;hydrochloride
CID 45264254
1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine
CID 170890416
1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine
CID 165123636
1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride
CID 170890492
1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine
CID 112513297
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine
CID 167243568
1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine
CID 170890550
1-[4-(3,3-difluorobutyl)-2,5-dimethoxyphenyl]butan-2-amine
CID 176553694
1-[4-(1,1-difluoroethyl)-5-ethoxy-2-methoxyphenyl]butan-2-amine
CID 167243727

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane?
The IUPAC name of 1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane (CID 176553687) is 1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane.
What is the SMILES notation for 1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane?
The canonical SMILES for 1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane is CC.CC.CCC(N)Cc1cc(OC)c(C)cc1OC.
What is the InChIKey of 1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane?
The InChIKey is NZIOAYLODYBTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2.2C2H6/c1-5-11(14)7-10-8-12(15-3)9(2)6-13(10)16-4;2*1-2/h6,8,11H,5,7,14H2,1-4H3;2*1-2H3.
What are the key properties of 1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane?
1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane has a molecular weight of 283.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane is sourced from PubChem (CID 176553687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).