N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine

C14H24N2O3 — CID 116948588

IUPACN,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
SMILESCNCCC(NC)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H24N2O3/c1-15-7-6-11(16-2)14-12(18-4)8-10(17-3)9-13(14)19-5/h8-9,11,15-16H,6-7H2,1-5H3
InChIKeyAUCWWQJRCSVNLF-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.58
Rot. Bonds8

About N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine

N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine (PubChem CID 116948588) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
PubChem CID116948588
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
SMILESCNCCC(NC)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H24N2O3/c1-15-7-6-11(16-2)14-12(18-4)8-10(17-3)9-13(14)19-5/h8-9,11,15-16H,6-7H2,1-5H3
InChIKeyAUCWWQJRCSVNLF-UHFFFAOYSA-N
XLogP1.58
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine
CID 114874234
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 116949911
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 116948624
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948581
3-(2-bromo-4,6-dimethoxyphenyl)-5-(methylamino)pentan-2-one
CID 166980844
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
methylamino-(2,4,6-trimethoxyphenyl)methanethiol
CID 116954536
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 116948929
3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 79018777
2-(1-chloropropan-2-yl)-1,3,5-trimethoxybenzene
CID 168916552
1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948631

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine (CID 116948588) is N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine is CNCCC(NC)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine?
The InChIKey is AUCWWQJRCSVNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-15-7-6-11(16-2)14-12(18-4)8-10(17-3)9-13(14)19-5/h8-9,11,15-16H,6-7H2,1-5H3.
What are the key properties of N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine?
N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine has a molecular weight of 268.36 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 116948588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).