2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine

C12H20N2O3 — CID 116855607

IUPAC2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine
SMILESCOc1cc(OC)c(C(C)(N)CN)c(OC)c1
InChIInChI=1S/C12H20N2O3/c1-12(14,7-13)11-9(16-3)5-8(15-2)6-10(11)17-4/h5-6H,7,13-14H2,1-4H3
InChIKeyDRCOVXMFZIBQSV-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.85
Rot. Bonds5

About 2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine

2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine (PubChem CID 116855607) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine
PubChem CID116855607
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine
SMILESCOc1cc(OC)c(C(C)(N)CN)c(OC)c1
InChIInChI=1S/C12H20N2O3/c1-12(14,7-13)11-9(16-3)5-8(15-2)6-10(11)17-4/h5-6H,7,13-14H2,1-4H3
InChIKeyDRCOVXMFZIBQSV-UHFFFAOYSA-N
XLogP0.85
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene
CID 116841570
2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine
CID 113408887
2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine
CID 23198486
2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 116855541
2-(2,4-dimethoxyphenyl)-1-methoxypropan-2-amine
CID 62801794
methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate
CID 116963092
3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane
CID 166753423
2,2-dimethyl-3-(2,4,6-trimethoxyphenyl)propanenitrile
CID 116927675
2-(4-methoxy-2,6-dimethylphenyl)propan-2-amine
CID 82048609
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane
CID 135262838
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine
CID 116925176

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine?
The IUPAC name of 2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine (CID 116855607) is 2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine?
The canonical SMILES for 2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine is COc1cc(OC)c(C(C)(N)CN)c(OC)c1.
What is the InChIKey of 2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine?
The InChIKey is DRCOVXMFZIBQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(14,7-13)11-9(16-3)5-8(15-2)6-10(11)17-4/h5-6H,7,13-14H2,1-4H3.
What are the key properties of 2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine?
2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine has a molecular weight of 240.30 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine is sourced from PubChem (CID 116855607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).