N,N-dimethyl-2-(4-methylphenyl)ethanamine oxide

C11H17NO — CID 86057994

IUPACN,N-dimethyl-2-(4-methylphenyl)ethanamine oxide
SMILESCc1ccc(CC[N+](C)(C)[O-])cc1
InChIInChI=1S/C11H17NO/c1-10-4-6-11(7-5-10)8-9-12(2,3)13/h4-7H,8-9H2,1-3H3
InChIKeyOISHLHFEFDLYEH-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.11
Rot. Bonds3

About N,N-dimethyl-2-(4-methylphenyl)ethanamine oxide

N,N-dimethyl-2-(4-methylphenyl)ethanamine oxide (PubChem CID 86057994) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylphenyl)ethanamine oxide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylphenyl)ethanamine oxide
PubChem CID86057994
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN,N-dimethyl-2-(4-methylphenyl)ethanamine oxide
SMILESCc1ccc(CC[N+](C)(C)[O-])cc1
InChIInChI=1S/C11H17NO/c1-10-4-6-11(7-5-10)8-9-12(2,3)13/h4-7H,8-9H2,1-3H3
InChIKeyOISHLHFEFDLYEH-UHFFFAOYSA-N
XLogP2.11
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.11
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

1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
N,N-dimethyl-6-phenylhexan-1-amine oxide
CID 18702344
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
2-(4-methylphenyl)ethylaluminum(2+) dichloride
CID 87071726
1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
CID 118487182
2-(2-carbamoyl-5-methylphenyl)-N,N-dimethylethanamine oxide
CID 142839862
N,4-dimethyl-N-propylbenzeneamine oxide
CID 134995998
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylphenyl)ethanamine oxide?
The IUPAC name of N,N-dimethyl-2-(4-methylphenyl)ethanamine oxide (CID 86057994) is N,N-dimethyl-2-(4-methylphenyl)ethanamine oxide.
What is the SMILES notation for N,N-dimethyl-2-(4-methylphenyl)ethanamine oxide?
The canonical SMILES for N,N-dimethyl-2-(4-methylphenyl)ethanamine oxide is Cc1ccc(CC[N+](C)(C)[O-])cc1.
What is the InChIKey of N,N-dimethyl-2-(4-methylphenyl)ethanamine oxide?
The InChIKey is OISHLHFEFDLYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-10-4-6-11(7-5-10)8-9-12(2,3)13/h4-7H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-methylphenyl)ethanamine oxide?
N,N-dimethyl-2-(4-methylphenyl)ethanamine oxide has a molecular weight of 179.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylphenyl)ethanamine oxide is sourced from PubChem (CID 86057994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).