1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine

C13H22N2 — CID 116948064

IUPAC1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine
SMILESCNC(c1c(C)cc(C)cc1C)C(C)N
InChIInChI=1S/C13H22N2/c1-8-6-9(2)12(10(3)7-8)13(15-5)11(4)14/h6-7,11,13,15H,14H2,1-5H3
InChIKeyAOOVWTFASKSWGC-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.22
Rot. Bonds3

About 1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine

1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine (PubChem CID 116948064) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine
PubChem CID116948064
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine
SMILESCNC(c1c(C)cc(C)cc1C)C(C)N
InChIInChI=1S/C13H22N2/c1-8-6-9(2)12(10(3)7-8)13(15-5)11(4)14/h6-7,11,13,15H,14H2,1-5H3
InChIKeyAOOVWTFASKSWGC-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948093
N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16770838
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
chloro-(2,4,6-trimethylphenyl)methanamine
CID 116947745
2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine
CID 79298168
1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948125
N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 43484222
1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine
CID 106877607
N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820
2-[(1R)-1-aminoethyl]-3,5-dimethylphenol
CID 55276249
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol
CID 83928281

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine (CID 116948064) is 1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine is CNC(c1c(C)cc(C)cc1C)C(C)N.
What is the InChIKey of 1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine?
The InChIKey is AOOVWTFASKSWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-8-6-9(2)12(10(3)7-8)13(15-5)11(4)14/h6-7,11,13,15H,14H2,1-5H3.
What are the key properties of 1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine?
1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine is sourced from PubChem (CID 116948064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).