1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine

C12H20N2O2 — CID 116933051

IUPAC1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine
SMILESCOc1ccc(OC)c(C(N)C(C)CN)c1
InChIInChI=1S/C12H20N2O2/c1-8(7-13)12(14)10-6-9(15-2)4-5-11(10)16-3/h4-6,8,12H,7,13-14H2,1-3H3
InChIKeyRYHUBBFZYHUDMP-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.30
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine

1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine (PubChem CID 116933051) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine
PubChem CID116933051
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine
SMILESCOc1ccc(OC)c(C(N)C(C)CN)c1
InChIInChI=1S/C12H20N2O2/c1-8(7-13)12(14)10-6-9(15-2)4-5-11(10)16-3/h4-6,8,12H,7,13-14H2,1-3H3
InChIKeyRYHUBBFZYHUDMP-UHFFFAOYSA-N
XLogP1.30
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933048
1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044751
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160952
2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 112508412
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)butan-2-ol
CID 96603983
4-(2,5-dimethoxyphenyl)pentan-2-amine
CID 64720069
1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933112
ethyl (3S)-3-amino-3-(2,5-dimethoxyphenyl)-2-fluoropropanoate
CID 171246365
2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116933123
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
(1S,2R)-1-amino-1-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171162385

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine (CID 116933051) is 1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine is COc1ccc(OC)c(C(N)C(C)CN)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine?
The InChIKey is RYHUBBFZYHUDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(7-13)12(14)10-6-9(15-2)4-5-11(10)16-3/h4-6,8,12H,7,13-14H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine?
1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine has a molecular weight of 224.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 116933051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).