2,4-dimethyl-5-propan-2-yloxyaniline;methanol

C12H21NO2 — CID 167518125

IUPAC2,4-dimethyl-5-propan-2-yloxyaniline;methanol
SMILESCO.Cc1cc(C)c(OC(C)C)cc1N
InChIInChI=1S/C11H17NO.CH4O/c1-7(2)13-11-6-10(12)8(3)5-9(11)4;1-2/h5-7H,12H2,1-4H3;2H,1H3
InChIKeyJSTQYKSOPSDKQM-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.28
Rot. Bonds2

About 2,4-dimethyl-5-propan-2-yloxyaniline;methanol

2,4-dimethyl-5-propan-2-yloxyaniline;methanol (PubChem CID 167518125) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2,4-dimethyl-5-propan-2-yloxyaniline;methanol.

Molecular Properties

Compound Name2,4-dimethyl-5-propan-2-yloxyaniline;methanol
PubChem CID167518125
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2,4-dimethyl-5-propan-2-yloxyaniline;methanol
SMILESCO.Cc1cc(C)c(OC(C)C)cc1N
InChIInChI=1S/C11H17NO.CH4O/c1-7(2)13-11-6-10(12)8(3)5-9(11)4;1-2/h5-7H,12H2,1-4H3;2H,1H3
InChIKeyJSTQYKSOPSDKQM-UHFFFAOYSA-N
XLogP2.28
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-5-propan-2-yloxyaniline;methanol 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-(4-amino-2,5-dimethylphenoxy)propanamide
CID 63181130
2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide
CID 63181045
1,2-difluoro-4-methyl-5-propan-2-yloxybenzene
CID 130512828
(5-amino-2,4-dimethylphenyl) hydrogen sulfite
CID 174701620
6-methyl-5-propan-2-yloxypyridine-2,3-diamine
CID 130057867
methyl 2-amino-4,5-di(propan-2-yloxy)benzoate
CID 82553168
4-bromo-2-propan-2-yloxyaniline
CID 50998232
4-amino-3-propan-2-yloxyphenol
CID 69025591
2-(4-amino-2,5-dimethylphenoxy)butanamide
CID 63181047
5-bromo-4-fluoro-2-propan-2-yloxyaniline
CID 66111938
(3-methyl-4-propan-2-yloxyphenyl)boronic acid
CID 23005368
2,5-di(propan-2-yloxy)benzene-1,4-diol
CID 70497584

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-propan-2-yloxyaniline;methanol?
The IUPAC name of 2,4-dimethyl-5-propan-2-yloxyaniline;methanol (CID 167518125) is 2,4-dimethyl-5-propan-2-yloxyaniline;methanol.
What is the SMILES notation for 2,4-dimethyl-5-propan-2-yloxyaniline;methanol?
The canonical SMILES for 2,4-dimethyl-5-propan-2-yloxyaniline;methanol is CO.Cc1cc(C)c(OC(C)C)cc1N.
What is the InChIKey of 2,4-dimethyl-5-propan-2-yloxyaniline;methanol?
The InChIKey is JSTQYKSOPSDKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.CH4O/c1-7(2)13-11-6-10(12)8(3)5-9(11)4;1-2/h5-7H,12H2,1-4H3;2H,1H3.
What are the key properties of 2,4-dimethyl-5-propan-2-yloxyaniline;methanol?
2,4-dimethyl-5-propan-2-yloxyaniline;methanol has a molecular weight of 211.30 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-propan-2-yloxyaniline;methanol is sourced from PubChem (CID 167518125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).