deuteriomethane;2-methylaniline

C8H13N — CID 90744870

IUPACdeuteriomethane;2-methylaniline
SMILESCc1ccccc1N.[2H]C
InChIInChI=1S/C7H9N.CH4/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H4/i;1D
InChIKeyASMRHVZQBZWYAD-DIYDOPDJSA-N
MW124.21 g/mol
LogP2.21
Rot. Bonds

About deuteriomethane;2-methylaniline

deuteriomethane;2-methylaniline (PubChem CID 90744870) has the molecular formula C8H13N and a molecular weight of 124.21 g/mol. Its IUPAC name is deuteriomethane;2-methylaniline.

Molecular Properties

Compound Namedeuteriomethane;2-methylaniline
PubChem CID90744870
Molecular FormulaC8H13N
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Namedeuteriomethane;2-methylaniline
SMILESCc1ccccc1N.[2H]C
InChIInChI=1S/C7H9N.CH4/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H4/i;1D
InChIKeyASMRHVZQBZWYAD-DIYDOPDJSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 52.21
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
N,N-dimethylmethanamine;2-methylaniline
CID 174412120
2-methylaniline;2-methylpropane
CID 91027920
bis(2-methylaniline);propane
CID 158079245
ethane;2-methylaniline;propane
CID 144801075
2,6-dimethylaniline;2-methylaniline
CID 160714609
acetaldehyde;ethane;2-methylaniline
CID 144857558

Frequently Asked Questions

What is the IUPAC name of deuteriomethane;2-methylaniline?
The IUPAC name of deuteriomethane;2-methylaniline (CID 90744870) is deuteriomethane;2-methylaniline.
What is the SMILES notation for deuteriomethane;2-methylaniline?
The canonical SMILES for deuteriomethane;2-methylaniline is Cc1ccccc1N.[2H]C.
What is the InChIKey of deuteriomethane;2-methylaniline?
The InChIKey is ASMRHVZQBZWYAD-DIYDOPDJSA-N. The full InChI is InChI=1S/C7H9N.CH4/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H4/i;1D.
What are the key properties of deuteriomethane;2-methylaniline?
deuteriomethane;2-methylaniline has a molecular weight of 124.21 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethane;2-methylaniline is sourced from PubChem (CID 90744870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).