2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine

C13H22N2 — CID 82507274

IUPAC2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCc1ccc(C(C)(CN)N(C)C)cc1C
InChIInChI=1S/C13H22N2/c1-10-6-7-12(8-11(10)2)13(3,9-14)15(4)5/h6-8H,9,14H2,1-5H3
InChIKeyWSOQZTAGVRJGNZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.04
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine

2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 82507274) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID82507274
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCc1ccc(C(C)(CN)N(C)C)cc1C
InChIInChI=1S/C13H22N2/c1-10-6-7-12(8-11(10)2)13(3,9-14)15(4)5/h6-8H,9,14H2,1-5H3
InChIKeyWSOQZTAGVRJGNZ-UHFFFAOYSA-N
XLogP2.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Aminoethyl)(benzyl)methylamine
CID 3014812
2,5-Dimethylbenzylamine
CID 66735
1-(2-Methylbenzyl)piperazine
CID 79212
(2-Amino-1-phenylethyl)dimethylamine
CID 241652
Methyl((2-methylphenyl)methyl)amine
CID 263103
1-(4-Ethylbenzyl)piperazine
CID 769677
[(4-Tert-butylphenyl)methyl](methyl)amine
CID 2396874
2,4-Dimethylbenzylamine
CID 66761
Benzenemethanamine, 3,4-dimethyl-
CID 66888
1-[(2,4-Dimethylphenyl)methyl]-4-methylpiperazine
CID 791382
4-Dimethylaminomethylbenzylamine
CID 193714
1-((4-(Propan-2-yl)phenyl)methyl)piperazine
CID 2574844

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine (CID 82507274) is 2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine is Cc1ccc(C(C)(CN)N(C)C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is WSOQZTAGVRJGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-6-7-12(8-11(10)2)13(3,9-14)15(4)5/h6-8H,9,14H2,1-5H3.
What are the key properties of 2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine?
2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82507274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).