2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine

C15H26N2 — CID 62435825

IUPAC2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
SMILESCc1ccc(N(C)C(C)CNC(C)C)c(C)c1
InChIInChI=1S/C15H26N2/c1-11(2)16-10-14(5)17(6)15-8-7-12(3)9-13(15)4/h7-9,11,14,16H,10H2,1-6H3
InChIKeyASXXWMTYLSVOCT-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.13
Rot. Bonds5

About 2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine

2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 62435825) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID62435825
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
SMILESCc1ccc(N(C)C(C)CNC(C)C)c(C)c1
InChIInChI=1S/C15H26N2/c1-11(2)16-10-14(5)17(6)15-8-7-12(3)9-13(15)4/h7-9,11,14,16H,10H2,1-6H3
InChIKeyASXXWMTYLSVOCT-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N,2,4-trimethylanilino)propanenitrile
CID 115129965
(2R)-2-(N,2,4-trimethylanilino)propanoic acid
CID 124508497
N-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62294689
N,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 114054861
2-[1-(N,2,4-trimethylanilino)ethyl]benzene-1,3-diol
CID 107711813
2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55072177
2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55072258
1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66452564
N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
CID 63504265
N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 55089398
N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine
CID 62003894
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine (CID 62435825) is 2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine is Cc1ccc(N(C)C(C)CNC(C)C)c(C)c1.
What is the InChIKey of 2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is ASXXWMTYLSVOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11(2)16-10-14(5)17(6)15-8-7-12(3)9-13(15)4/h7-9,11,14,16H,10H2,1-6H3.
What are the key properties of 2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 62435825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).