1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine

C14H24N2O2 — CID 112518914

IUPAC1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccc(C(N)CCN(C)C)c(OC)c1C
InChIInChI=1S/C14H24N2O2/c1-10-13(17-4)7-6-11(14(10)18-5)12(15)8-9-16(2)3/h6-7,12H,8-9,15H2,1-5H3
InChIKeyQUTOKNXTPCAMRC-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.96
Rot. Bonds6

About 1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine

1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 112518914) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID112518914
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccc(C(N)CCN(C)C)c(OC)c1C
InChIInChI=1S/C14H24N2O2/c1-10-13(17-4)7-6-11(14(10)18-5)12(15)8-9-16(2)3/h6-7,12H,8-9,15H2,1-5H3
InChIKeyQUTOKNXTPCAMRC-UHFFFAOYSA-N
XLogP1.96
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine
CID 116933582
3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine
CID 112517349
(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 171199872
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
CID 82291299
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936143
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301
4,4-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 115850047
2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol
CID 83939948
(1S)-1-(2,3,4-trimethoxyphenyl)hexan-1-amine;hydrochloride
CID 171219374
2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid
CID 116945089
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine (CID 112518914) is 1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine is COc1ccc(C(N)CCN(C)C)c(OC)c1C.
What is the InChIKey of 1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is QUTOKNXTPCAMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10-13(17-4)7-6-11(14(10)18-5)12(15)8-9-16(2)3/h6-7,12H,8-9,15H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine?
1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 112518914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).