2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine

C13H22N2O3 — CID 116933123

IUPAC2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
SMILESCOc1cc(OC)c(C(N)C(C)CN)c(OC)c1
InChIInChI=1S/C13H22N2O3/c1-8(7-14)13(15)12-10(17-3)5-9(16-2)6-11(12)18-4/h5-6,8,13H,7,14-15H2,1-4H3
InChIKeyCCXFMAQHUXEOJW-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.31
Rot. Bonds6

About 2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine

2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine (PubChem CID 116933123) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
PubChem CID116933123
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
SMILESCOc1cc(OC)c(C(N)C(C)CN)c(OC)c1
InChIInChI=1S/C13H22N2O3/c1-8(7-14)13(15)12-10(17-3)5-9(16-2)6-11(12)18-4/h5-6,8,13H,7,14-15H2,1-4H3
InChIKeyCCXFMAQHUXEOJW-UHFFFAOYSA-N
XLogP1.31
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201061
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine
CID 116933051
(1S)-3,3-difluoro-1-(2,4,6-trimethoxyphenyl)propan-1-amine;hydrochloride
CID 171312905
(1S,2R)-1-amino-5-methyl-1-(2,4,6-trimethoxyphenyl)hexan-2-ol
CID 171267047
(1R)-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171201026
2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine
CID 83154373
2-[(1R)-1-amino-2,2-difluoroethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171242035
(1S,2R)-1-amino-5-methyl-1-(2,4,6-trimethoxyphenyl)hexan-2-ol;hydrochloride
CID 171267048
2-[(1S)-1,2-diaminoethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207071
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine
CID 82759020
2-N-methyl-2-N-(2,4,6-trimethoxyphenyl)propane-1,2-diamine
CID 117039921

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine?
The IUPAC name of 2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine (CID 116933123) is 2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for 2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine?
The canonical SMILES for 2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine is COc1cc(OC)c(C(N)C(C)CN)c(OC)c1.
What is the InChIKey of 2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine?
The InChIKey is CCXFMAQHUXEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8(7-14)13(15)12-10(17-3)5-9(16-2)6-11(12)18-4/h5-6,8,13H,7,14-15H2,1-4H3.
What are the key properties of 2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine?
2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine has a molecular weight of 254.33 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 116933123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).