N,N-dimethyl-1-(2-methylphenyl)methanamine oxide

C10H15NO — CID 134893793

IUPACN,N-dimethyl-1-(2-methylphenyl)methanamine oxide
SMILESCc1ccccc1C[N+](C)(C)[O-]
InChIInChI=1S/C10H15NO/c1-9-6-4-5-7-10(9)8-11(2,3)12/h4-7H,8H2,1-3H3
InChIKeyUWBCCDBCOOEEGD-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.07
Rot. Bonds2

About N,N-dimethyl-1-(2-methylphenyl)methanamine oxide

N,N-dimethyl-1-(2-methylphenyl)methanamine oxide (PubChem CID 134893793) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methylphenyl)methanamine oxide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methylphenyl)methanamine oxide
PubChem CID134893793
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN,N-dimethyl-1-(2-methylphenyl)methanamine oxide
SMILESCc1ccccc1C[N+](C)(C)[O-]
InChIInChI=1S/C10H15NO/c1-9-6-4-5-7-10(9)8-11(2,3)12/h4-7H,8H2,1-3H3
InChIKeyUWBCCDBCOOEEGD-UHFFFAOYSA-N
XLogP2.07
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Benzalkonium Chloride
CID 3014024
Benzododecinium Chloride
CID 8753
Pargyline
CID 4688
Benzylhexadecyldimethylammonium chloride
CID 31202
Benzyldimethylstearylammonium chloride
CID 31204
Benzyltrimethylammonium chloride
CID 5963
Benzyldimethyltetradecylammonium chloride
CID 8755
N,N-Dimethylphenylethylamine
CID 25125
Benzododecinium Bromide
CID 23705
N,N-Dimethylbenzylamine
CID 7681
Benzyltrimethylammonium hydroxide
CID 66854
N-methyl-N-benzylnitrosamine
CID 13643

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methylphenyl)methanamine oxide?
The IUPAC name of N,N-dimethyl-1-(2-methylphenyl)methanamine oxide (CID 134893793) is N,N-dimethyl-1-(2-methylphenyl)methanamine oxide.
What is the SMILES notation for N,N-dimethyl-1-(2-methylphenyl)methanamine oxide?
The canonical SMILES for N,N-dimethyl-1-(2-methylphenyl)methanamine oxide is Cc1ccccc1C[N+](C)(C)[O-].
What is the InChIKey of N,N-dimethyl-1-(2-methylphenyl)methanamine oxide?
The InChIKey is UWBCCDBCOOEEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-9-6-4-5-7-10(9)8-11(2,3)12/h4-7H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-methylphenyl)methanamine oxide?
N,N-dimethyl-1-(2-methylphenyl)methanamine oxide has a molecular weight of 165.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methylphenyl)methanamine oxide is sourced from PubChem (CID 134893793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).