N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine

C14H24N2O2 — CID 115251309

IUPACN'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CN)CN(C)c1cc(OC)ccc1OC
InChIInChI=1S/C14H24N2O2/c1-5-11(9-15)10-16(2)13-8-12(17-3)6-7-14(13)18-4/h6-8,11H,5,9-10,15H2,1-4H3
InChIKeyIYSVPSDMPAZXFB-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.12
Rot. Bonds7

About N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine

N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine (PubChem CID 115251309) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine
PubChem CID115251309
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CN)CN(C)c1cc(OC)ccc1OC
InChIInChI=1S/C14H24N2O2/c1-5-11(9-15)10-16(2)13-8-12(17-3)6-7-14(13)18-4/h6-8,11H,5,9-10,15H2,1-4H3
InChIKeyIYSVPSDMPAZXFB-UHFFFAOYSA-N
XLogP2.12
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251560
2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol
CID 115250618
N'-(2,5-difluoro-4-methoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251390
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 115254869
3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119499
3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine
CID 112510147
2-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251569
2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine
CID 115251353
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
2-ethyl-N'-[(4-methoxy-3-methylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251543
N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline
CID 115213906

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine (CID 115251309) is N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine is CCC(CN)CN(C)c1cc(OC)ccc1OC.
What is the InChIKey of N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine?
The InChIKey is IYSVPSDMPAZXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-11(9-15)10-16(2)13-8-12(17-3)6-7-14(13)18-4/h6-8,11H,5,9-10,15H2,1-4H3.
What are the key properties of N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine?
N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115251309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).