1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine

C13H22N2O2 — CID 116933112

IUPAC1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
SMILESCOc1cc(C(N)C(C)CN)c(OC)cc1C
InChIInChI=1S/C13H22N2O2/c1-8-5-12(17-4)10(6-11(8)16-3)13(15)9(2)7-14/h5-6,9,13H,7,14-15H2,1-4H3
InChIKeyXIXINIMIVVNVEF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds5

About 1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine

1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine (PubChem CID 116933112) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
PubChem CID116933112
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
SMILESCOc1cc(C(N)C(C)CN)c(OC)cc1C
InChIInChI=1S/C13H22N2O2/c1-8-5-12(17-4)10(6-11(8)16-3)13(15)9(2)7-14/h5-6,9,13H,7,14-15H2,1-4H3
InChIKeyXIXINIMIVVNVEF-UHFFFAOYSA-N
XLogP1.61
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933090
1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933048
1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine
CID 116933051
1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904669
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116933123
3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 65190714
2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine
CID 83927774
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077546
(4R)-4-(2,5-dimethoxy-4-methylphenyl)pentanal
CID 54589628
amino-(2-methoxy-4,5-dimethylphenyl)methanethiol
CID 116939456

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine?
The IUPAC name of 1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine (CID 116933112) is 1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for 1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine is COc1cc(C(N)C(C)CN)c(OC)cc1C.
What is the InChIKey of 1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine?
The InChIKey is XIXINIMIVVNVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8-5-12(17-4)10(6-11(8)16-3)13(15)9(2)7-14/h5-6,9,13H,7,14-15H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine?
1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 116933112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).