2-methylaniline;2-methylpropane

C11H19N — CID 91027920

IUPAC2-methylaniline;2-methylpropane
SMILESCC(C)C.Cc1ccccc1N
InChIInChI=1S/C7H9N.C4H10/c1-6-4-2-3-5-7(6)8;1-4(2)3/h2-5H,8H2,1H3;4H,1-3H3
InChIKeyNBEVCHQECYCGPC-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.24
Rot. Bonds

About 2-methylaniline;2-methylpropane

2-methylaniline;2-methylpropane (PubChem CID 91027920) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methylaniline;2-methylpropane.

Molecular Properties

Compound Name2-methylaniline;2-methylpropane
PubChem CID91027920
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methylaniline;2-methylpropane
SMILESCC(C)C.Cc1ccccc1N
InChIInChI=1S/C7H9N.C4H10/c1-6-4-2-3-5-7(6)8;1-4(2)3/h2-5H,8H2,1H3;4H,1-3H3
InChIKeyNBEVCHQECYCGPC-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.24
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

CID 175394275
CID 175394275
CID 67897123
CID 67897123
2-methylaniline;dihydrochloride
CID 23331471
CID 159002136
CID 159002136
tris(2-methylaniline);phosphane
CID 158408493
ethane;methanamine;2-methylaniline
CID 91356397
2-methylaniline;2-methylpropan-1-amine
CID 22279170
deuteriomethane;2-methylaniline
CID 90744870
N,N-dimethylmethanamine;2-methylaniline
CID 174412120
bis(2-methylaniline);propane
CID 158079245
ethane;2-methylaniline;propane
CID 144801075
2,6-dimethylaniline;2-methylaniline
CID 160714609

Frequently Asked Questions

What is the IUPAC name of 2-methylaniline;2-methylpropane?
The IUPAC name of 2-methylaniline;2-methylpropane (CID 91027920) is 2-methylaniline;2-methylpropane.
What is the SMILES notation for 2-methylaniline;2-methylpropane?
The canonical SMILES for 2-methylaniline;2-methylpropane is CC(C)C.Cc1ccccc1N.
What is the InChIKey of 2-methylaniline;2-methylpropane?
The InChIKey is NBEVCHQECYCGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C4H10/c1-6-4-2-3-5-7(6)8;1-4(2)3/h2-5H,8H2,1H3;4H,1-3H3.
What are the key properties of 2-methylaniline;2-methylpropane?
2-methylaniline;2-methylpropane has a molecular weight of 165.28 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylaniline;2-methylpropane is sourced from PubChem (CID 91027920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).