2,5-dimethoxy-3-propan-2-ylaniline

C11H17NO2 — CID 84666265

IUPAC2,5-dimethoxy-3-propan-2-ylaniline
SMILESCOc1cc(N)c(OC)c(C(C)C)c1
InChIInChI=1S/C11H17NO2/c1-7(2)9-5-8(13-3)6-10(12)11(9)14-4/h5-7H,12H2,1-4H3
InChIKeyIUEQXXIPZJCOJP-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.41
Rot. Bonds3

About 2,5-dimethoxy-3-propan-2-ylaniline

2,5-dimethoxy-3-propan-2-ylaniline (PubChem CID 84666265) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2,5-dimethoxy-3-propan-2-ylaniline.

Molecular Properties

Compound Name2,5-dimethoxy-3-propan-2-ylaniline
PubChem CID84666265
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2,5-dimethoxy-3-propan-2-ylaniline
SMILESCOc1cc(N)c(OC)c(C(C)C)c1
InChIInChI=1S/C11H17NO2/c1-7(2)9-5-8(13-3)6-10(12)11(9)14-4/h5-7H,12H2,1-4H3
InChIKeyIUEQXXIPZJCOJP-UHFFFAOYSA-N
XLogP2.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2,6-di(propan-2-yl)phenol
CID 19994197
1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine
CID 117343739
3-(1-aminoethyl)-2-methoxy-5-methylaniline
CID 82630793
1-(2,5-dimethoxy-3-propan-2-ylsulfanylphenyl)ethanamine
CID 140675793
2-(1-iodoethyl)-5-methoxyaniline
CID 170370937
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
4,5-di(propan-2-yl)benzene-1,2-diamine
CID 122607621
2,4-dimethoxy-3-methyl-6-propan-2-ylaniline
CID 102416676
(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine
CID 84665068
2,6-dibromo-4-methoxyaniline
CID 542895
4-methoxy-2-propan-2-ylbenzenethiol
CID 130435899
1-(2-amino-5-methoxyphenyl)-2-methylpropan-1-ol
CID 105449197

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-3-propan-2-ylaniline?
The IUPAC name of 2,5-dimethoxy-3-propan-2-ylaniline (CID 84666265) is 2,5-dimethoxy-3-propan-2-ylaniline.
What is the SMILES notation for 2,5-dimethoxy-3-propan-2-ylaniline?
The canonical SMILES for 2,5-dimethoxy-3-propan-2-ylaniline is COc1cc(N)c(OC)c(C(C)C)c1.
What is the InChIKey of 2,5-dimethoxy-3-propan-2-ylaniline?
The InChIKey is IUEQXXIPZJCOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7(2)9-5-8(13-3)6-10(12)11(9)14-4/h5-7H,12H2,1-4H3.
What are the key properties of 2,5-dimethoxy-3-propan-2-ylaniline?
2,5-dimethoxy-3-propan-2-ylaniline has a molecular weight of 195.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-3-propan-2-ylaniline is sourced from PubChem (CID 84666265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).