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

C15H26N2 — CID 116960219

IUPAC1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNC(c1ccc(C)c(C)c1)C(CN)C(C)C
InChIInChI=1S/C15H26N2/c1-10(2)14(9-16)15(17-5)13-7-6-11(3)12(4)8-13/h6-8,10,14-15,17H,9,16H2,1-5H3
InChIKeyJHHUPLBWYPUMDC-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.79
Rot. Bonds5

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

1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116960219) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID116960219
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNC(c1ccc(C)c(C)c1)C(CN)C(C)C
InChIInChI=1S/C15H26N2/c1-10(2)14(9-16)15(17-5)13-7-6-11(3)12(4)8-13/h6-8,10,14-15,17H,9,16H2,1-5H3
InChIKeyJHHUPLBWYPUMDC-UHFFFAOYSA-N
XLogP2.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116960290
N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960302
N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116960272
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116960297
1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62070144
1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine
CID 116725660
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol
CID 116945577
1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine
CID 79746964
1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116960347
2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 65185897

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine (CID 116960219) is 1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine is CNC(c1ccc(C)c(C)c1)C(CN)C(C)C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is JHHUPLBWYPUMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-10(2)14(9-16)15(17-5)13-7-6-11(3)12(4)8-13/h6-8,10,14-15,17H,9,16H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine?
1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116960219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).