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

C15H26N2O2 — CID 116945878

IUPAC1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(C(C)C)C(N)c1ccc(OC)cc1OC
InChIInChI=1S/C15H26N2O2/c1-10(2)13(9-17-3)15(16)12-7-6-11(18-4)8-14(12)19-5/h6-8,10,13,15,17H,9,16H2,1-5H3
InChIKeyDBPFUMDPYUQDNU-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.20
Rot. Bonds7

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

1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116945878) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID116945878
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(C(C)C)C(N)c1ccc(OC)cc1OC
InChIInChI=1S/C15H26N2O2/c1-10(2)13(9-17-3)15(16)12-7-6-11(18-4)8-14(12)19-5/h6-8,10,13,15,17H,9,16H2,1-5H3
InChIKeyDBPFUMDPYUQDNU-UHFFFAOYSA-N
XLogP2.20
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-1-amino-1-(2,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 96592127
1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine
CID 79616909
3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 79018777
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724315
1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine
CID 82985587
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116945907
2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine
CID 79298936
[1-(2,4-dimethoxyphenyl)-2,3-dimethylbutyl]hydrazine
CID 105304556

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine (CID 116945878) is 1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine is CNCC(C(C)C)C(N)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is DBPFUMDPYUQDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(2)13(9-17-3)15(16)12-7-6-11(18-4)8-14(12)19-5/h6-8,10,13,15,17H,9,16H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116945878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).