3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline

C13H22N2 — CID 115212181

IUPAC3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline
SMILESCNc1cccc(CNCC(C)(C)C)c1
InChIInChI=1S/C13H22N2/c1-13(2,3)10-15-9-11-6-5-7-12(8-11)14-4/h5-8,14-15H,9-10H2,1-4H3
InChIKeyQIEGKEOZRUUENP-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.86
Rot. Bonds4

About 3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline

3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline (PubChem CID 115212181) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline
PubChem CID115212181
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline
SMILESCNc1cccc(CNCC(C)(C)C)c1
InChIInChI=1S/C13H22N2/c1-13(2,3)10-15-9-11-6-5-7-12(8-11)14-4/h5-8,14-15H,9-10H2,1-4H3
InChIKeyQIEGKEOZRUUENP-UHFFFAOYSA-N
XLogP2.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,2-dimethylpropylamino)methyl]phenol
CID 61168386
N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 61167213
3-[(2,2-dimethylpropylamino)methyl]benzonitrile
CID 61166413
3-[(2-cyclohexylethylamino)methyl]-N-methylaniline
CID 115212292
3-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212230
2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline
CID 115212078
3-(bromomethyl)-N-methylaniline
CID 147410245
3-[(2,2-dimethylpropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032714
[3-(2,2-dimethylpropylamino)phenyl]methanol
CID 20785829
3-(methoxymethyl)-N-methylaniline
CID 23080905
3-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]-N-methylaniline
CID 115212276
3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
CID 144618265

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline?
The IUPAC name of 3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline (CID 115212181) is 3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline.
What is the SMILES notation for 3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline?
The canonical SMILES for 3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline is CNc1cccc(CNCC(C)(C)C)c1.
What is the InChIKey of 3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline?
The InChIKey is QIEGKEOZRUUENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-13(2,3)10-15-9-11-6-5-7-12(8-11)14-4/h5-8,14-15H,9-10H2,1-4H3.
What are the key properties of 3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline?
3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline has a molecular weight of 206.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline is sourced from PubChem (CID 115212181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).