1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine

C16H28N2 — CID 116913495

IUPAC1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCc1ccc(C(C(CN)C(C)C)N(C)C)c(C)c1
InChIInChI=1S/C16H28N2/c1-11(2)15(10-17)16(18(5)6)14-8-7-12(3)9-13(14)4/h7-9,11,15-16H,10,17H2,1-6H3
InChIKeyMCKMFOBLHKGJJM-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.14
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine

1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116913495) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID116913495
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCc1ccc(C(C(CN)C(C)C)N(C)C)c(C)c1
InChIInChI=1S/C16H28N2/c1-11(2)15(10-17)16(18(5)6)14-8-7-12(3)9-13(14)4/h7-9,11,15-16H,10,17H2,1-6H3
InChIKeyMCKMFOBLHKGJJM-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine
CID 137390997
1-(2,4-dimethylphenyl)-N-methyl-N-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 55000948
1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
1-(2,4-dimethylphenyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 116904924
2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol
CID 116913443
N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 43568902
N'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79646619
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
1-(2,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65385194
1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913500
3-amino-2-(2,4-dimethylphenyl)propanenitrile
CID 82503365

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine (CID 116913495) is 1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine is Cc1ccc(C(C(CN)C(C)C)N(C)C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is MCKMFOBLHKGJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-11(2)15(10-17)16(18(5)6)14-8-7-12(3)9-13(14)4/h7-9,11,15-16H,10,17H2,1-6H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116913495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).