N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine

C14H24N2O3 — CID 116948624

IUPACN,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
SMILESCNCCC(NC)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H24N2O3/c1-15-7-6-11(16-2)10-8-12(17-3)14(19-5)13(9-10)18-4/h8-9,11,15-16H,6-7H2,1-5H3
InChIKeyAFXHKOWQMYKISU-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.58
Rot. Bonds8

About N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine

N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine (PubChem CID 116948624) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
PubChem CID116948624
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
SMILESCNCCC(NC)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H24N2O3/c1-15-7-6-11(16-2)10-8-12(17-3)14(19-5)13(9-10)18-4/h8-9,11,15-16H,6-7H2,1-5H3
InChIKeyAFXHKOWQMYKISU-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

1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948631
4-(methylamino)-1-(3,4,5-trimethoxyphenyl)butane-1,2-diol
CID 171891111
3-ethyl-N-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 105028365
N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116948588
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116954412
1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948581
[5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine
CID 105331209
2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 105030112
1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine
CID 82923305
N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine
CID 22163988
5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene
CID 15310594
1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine
CID 79575404

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine (CID 116948624) is N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine is CNCCC(NC)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine?
The InChIKey is AFXHKOWQMYKISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-15-7-6-11(16-2)10-8-12(17-3)14(19-5)13(9-10)18-4/h8-9,11,15-16H,6-7H2,1-5H3.
What are the key properties of N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine?
N,N'-dimethyl-1-(3,4,5-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-(3,4,5-trimethoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 116948624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).