N,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole

C21H30N2O — CID 142843072

IUPACN,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole
SMILESCN(C)C.CN1CC(c2ccccc2)=CC1c1ccccc1.CO
InChIInChI=1S/C17H17N.C3H9N.CH4O/c1-18-13-16(14-8-4-2-5-9-14)12-17(18)15-10-6-3-7-11-15;1-4(2)3;1-2/h2-12,17H,13H2,1H3;1-3H3;2H,1H3
InChIKeyXNWGBYNNAQZTMB-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.54
Rot. Bonds2

About N,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole

N,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole (PubChem CID 142843072) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole.

Molecular Properties

Compound NameN,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole
PubChem CID142843072
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole
SMILESCN(C)C.CN1CC(c2ccccc2)=CC1c1ccccc1.CO
InChIInChI=1S/C17H17N.C3H9N.CH4O/c1-18-13-16(14-8-4-2-5-9-14)12-17(18)15-10-6-3-7-11-15;1-4(2)3;1-2/h2-12,17H,13H2,1H3;1-3H3;2H,1H3
InChIKeyXNWGBYNNAQZTMB-UHFFFAOYSA-N
XLogP3.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole?
The IUPAC name of N,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole (CID 142843072) is N,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole.
What is the SMILES notation for N,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole?
The canonical SMILES for N,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole is CN(C)C.CN1CC(c2ccccc2)=CC1c1ccccc1.CO.
What is the InChIKey of N,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole?
The InChIKey is XNWGBYNNAQZTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N.C3H9N.CH4O/c1-18-13-16(14-8-4-2-5-9-14)12-17(18)15-10-6-3-7-11-15;1-4(2)3;1-2/h2-12,17H,13H2,1H3;1-3H3;2H,1H3.
What are the key properties of N,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole?
N,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole has a molecular weight of 326.48 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;methanol;1-methyl-2,4-diphenyl-2,5-dihydropyrrole is sourced from PubChem (CID 142843072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).