ethane;5-methyl-2-propan-2-ylaniline

C12H21N — CID 142850696

IUPACethane;5-methyl-2-propan-2-ylaniline
SMILESCC.Cc1ccc(C(C)C)c(N)c1
InChIInChI=1S/C10H15N.C2H6/c1-7(2)9-5-4-8(3)6-10(9)11;1-2/h4-7H,11H2,1-3H3;1-2H3
InChIKeyXMPROCXKRLCUTR-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.73
Rot. Bonds1

About ethane;5-methyl-2-propan-2-ylaniline

ethane;5-methyl-2-propan-2-ylaniline (PubChem CID 142850696) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is ethane;5-methyl-2-propan-2-ylaniline.

Molecular Properties

Compound Nameethane;5-methyl-2-propan-2-ylaniline
PubChem CID142850696
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Nameethane;5-methyl-2-propan-2-ylaniline
SMILESCC.Cc1ccc(C(C)C)c(N)c1
InChIInChI=1S/C10H15N.C2H6/c1-7(2)9-5-4-8(3)6-10(9)11;1-2/h4-7H,11H2,1-3H3;1-2H3
InChIKeyXMPROCXKRLCUTR-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol
CID 105447479
5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 43349562
2-(2,3-dimethylheptan-4-yl)-5-methylaniline
CID 167223438
ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine
CID 162748645
3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol
CID 170827782
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 20697925
5-(chloromethyl)-2-propan-2-ylaniline
CID 89209031
5-(pentafluoro-λ6-sulfanyl)-2-propan-2-ylaniline
CID 172563907
potassium 5-methyl-2-propan-2-ylphenolate
CID 23693969
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
5-methyl-2-propan-2-ylphenol;zinc
CID 160855786

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-propan-2-ylaniline?
The IUPAC name of ethane;5-methyl-2-propan-2-ylaniline (CID 142850696) is ethane;5-methyl-2-propan-2-ylaniline.
What is the SMILES notation for ethane;5-methyl-2-propan-2-ylaniline?
The canonical SMILES for ethane;5-methyl-2-propan-2-ylaniline is CC.Cc1ccc(C(C)C)c(N)c1.
What is the InChIKey of ethane;5-methyl-2-propan-2-ylaniline?
The InChIKey is XMPROCXKRLCUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C2H6/c1-7(2)9-5-4-8(3)6-10(9)11;1-2/h4-7H,11H2,1-3H3;1-2H3.
What are the key properties of ethane;5-methyl-2-propan-2-ylaniline?
ethane;5-methyl-2-propan-2-ylaniline has a molecular weight of 179.31 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-propan-2-ylaniline is sourced from PubChem (CID 142850696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).