N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine

C15H26N2O2 — CID 115251560

IUPACN'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CN)CN(C)Cc1ccc(OC)cc1OC
InChIInChI=1S/C15H26N2O2/c1-5-12(9-16)10-17(2)11-13-6-7-14(18-3)8-15(13)19-4/h6-8,12H,5,9-11,16H2,1-4H3
InChIKeyCHQGTTATFFKQQJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.12
Rot. Bonds8

About N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine

N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine (PubChem CID 115251560) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
PubChem CID115251560
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CN)CN(C)Cc1ccc(OC)cc1OC
InChIInChI=1S/C15H26N2O2/c1-5-12(9-16)10-17(2)11-13-6-7-14(18-3)8-15(13)19-4/h6-8,12H,5,9-11,16H2,1-4H3
InChIKeyCHQGTTATFFKQQJ-UHFFFAOYSA-N
XLogP2.12
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
CID 115121489
2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251582
N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251309
2-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251569
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2-ethyl-N'-[(4-methoxy-3-methylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251543
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251540
1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol
CID 16553388
2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251757
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783
2-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251726

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine (CID 115251560) is N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine is CCC(CN)CN(C)Cc1ccc(OC)cc1OC.
What is the InChIKey of N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The InChIKey is CHQGTTATFFKQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-12(9-16)10-17(2)11-13-6-7-14(18-3)8-15(13)19-4/h6-8,12H,5,9-11,16H2,1-4H3.
What are the key properties of N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine?
N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115251560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).