N,N-dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline

C12H18N2O — CID 3068529

IUPACN,N-dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline
SMILESCN(C)c1ccc(C2OCCN2C)cc1
InChIInChI=1S/C12H18N2O/c1-13(2)11-6-4-10(5-7-11)12-14(3)8-9-15-12/h4-7,12H,8-9H2,1-3H3
InChIKeyNRUMIWZSFODVAY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.71
Rot. Bonds2

About N,N-dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline

N,N-dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline (PubChem CID 3068529) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline
PubChem CID3068529
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN,N-dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline
SMILESCN(C)c1ccc(C2OCCN2C)cc1
InChIInChI=1S/C12H18N2O/c1-13(2)11-6-4-10(5-7-11)12-14(3)8-9-15-12/h4-7,12H,8-9H2,1-3H3
InChIKeyNRUMIWZSFODVAY-UHFFFAOYSA-N
XLogP1.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline (CID 3068529) is N,N-dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline is CN(C)c1ccc(C2OCCN2C)cc1.
What is the InChIKey of N,N-dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline?
The InChIKey is NRUMIWZSFODVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13(2)11-6-4-10(5-7-11)12-14(3)8-9-15-12/h4-7,12H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline?
N,N-dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline has a molecular weight of 206.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline is sourced from PubChem (CID 3068529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).