aniline;1-methyl-4-propan-2-ylbenzene

C16H21N — CID 19435769

IUPACaniline;1-methyl-4-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)cc1.Nc1ccccc1
InChIInChI=1S/C10H14.C6H7N/c1-8(2)10-6-4-9(3)5-7-10;7-6-4-2-1-3-5-6/h4-8H,1-3H3;1-5H,7H2
InChIKeyOKTFKKCGVYKLRR-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.39
Rot. Bonds1

About aniline;1-methyl-4-propan-2-ylbenzene

aniline;1-methyl-4-propan-2-ylbenzene (PubChem CID 19435769) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is aniline;1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Nameaniline;1-methyl-4-propan-2-ylbenzene
PubChem CID19435769
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Nameaniline;1-methyl-4-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)cc1.Nc1ccccc1
InChIInChI=1S/C10H14.C6H7N/c1-8(2)10-6-4-9(3)5-7-10;7-6-4-2-1-3-5-6/h4-8H,1-3H3;1-5H,7H2
InChIKeyOKTFKKCGVYKLRR-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.39
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

cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
2-aminobenzoic acid;1-methyl-4-propan-2-ylbenzene
CID 174500943
aniline;propan-2-amine
CID 142091845
aniline;ethane;2-methylpropane
CID 158321840
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
aniline;methylphosphane
CID 142605603

Frequently Asked Questions

What is the IUPAC name of aniline;1-methyl-4-propan-2-ylbenzene?
The IUPAC name of aniline;1-methyl-4-propan-2-ylbenzene (CID 19435769) is aniline;1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for aniline;1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for aniline;1-methyl-4-propan-2-ylbenzene is Cc1ccc(C(C)C)cc1.Nc1ccccc1.
What is the InChIKey of aniline;1-methyl-4-propan-2-ylbenzene?
The InChIKey is OKTFKKCGVYKLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C6H7N/c1-8(2)10-6-4-9(3)5-7-10;7-6-4-2-1-3-5-6/h4-8H,1-3H3;1-5H,7H2.
What are the key properties of aniline;1-methyl-4-propan-2-ylbenzene?
aniline;1-methyl-4-propan-2-ylbenzene has a molecular weight of 227.35 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 19435769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).