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

C13H22N2 — CID 116933377

IUPAC1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
SMILESCc1ccc(C(N)C(C)(C)CN)c(C)c1
InChIInChI=1S/C13H22N2/c1-9-5-6-11(10(2)7-9)12(15)13(3,4)8-14/h5-7,12H,8,14-15H2,1-4H3
InChIKeyMWVFBLRKAIEIOC-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.29
Rot. Bonds3

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

1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 116933377) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
PubChem CID116933377
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
SMILESCc1ccc(C(N)C(C)(C)CN)c(C)c1
InChIInChI=1S/C13H22N2/c1-9-5-6-11(10(2)7-9)12(15)13(3,4)8-14/h5-7,12H,8,14-15H2,1-4H3
InChIKeyMWVFBLRKAIEIOC-UHFFFAOYSA-N
XLogP2.29
TPSA52.04 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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933361
(3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 131625562
(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine
CID 28500813
1-(2,4-dimethylphenyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 116904924
(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 28500791
1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933396
2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol
CID 79138441
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
methyl (3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171244026
N'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79646619
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine (CID 116933377) is 1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine is Cc1ccc(C(N)C(C)(C)CN)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is MWVFBLRKAIEIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-9-5-6-11(10(2)7-9)12(15)13(3,4)8-14/h5-7,12H,8,14-15H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine?
1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116933377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).