1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine

C14H24N2O2 — CID 116948581

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCC(NC)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C14H24N2O2/c1-10-8-13(17-4)14(18-5)9-11(10)12(16-3)6-7-15-2/h8-9,12,15-16H,6-7H2,1-5H3
InChIKeyIIWXZMNIGQUSQD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.88
Rot. Bonds7

About 1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine

1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 116948581) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID116948581
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCC(NC)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C14H24N2O2/c1-10-8-13(17-4)14(18-5)9-11(10)12(16-3)6-7-15-2/h8-9,12,15-16H,6-7H2,1-5H3
InChIKeyIIWXZMNIGQUSQD-UHFFFAOYSA-N
XLogP1.88
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine
CID 43626705
1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine
CID 43626724
N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116948588
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 116948624
1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948631
1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949606
1-(4-methoxy-2,5-dimethylphenyl)-4-(methylamino)butane-1,2-diol
CID 171890556
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 116961940
1-(4,5-dimethoxy-2-methylphenyl)-N-ethylpropan-1-amine
CID 43626772
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 105179029
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol
CID 112512918
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43626719

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine (CID 116948581) is 1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine is CNCCC(NC)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is IIWXZMNIGQUSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10-8-13(17-4)14(18-5)9-11(10)12(16-3)6-7-15-2/h8-9,12,15-16H,6-7H2,1-5H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine?
1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116948581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).