2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine

C15H26N2O2 — CID 82944858

IUPAC2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(OC)c(C(C)NC(C)CN(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-11(10-17(3)4)16-12(2)14-9-13(18-5)7-8-15(14)19-6/h7-9,11-12,16H,10H2,1-6H3
InChIKeyJSBFJWVQZVCHSQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.30
Rot. Bonds7

About 2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82944858) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82944858
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(OC)c(C(C)NC(C)CN(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-11(10-17(3)4)16-12(2)14-9-13(18-5)7-8-15(14)19-6/h7-9,11-12,16H,10H2,1-6H3
InChIKeyJSBFJWVQZVCHSQ-UHFFFAOYSA-N
XLogP2.30
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine
CID 115889887
N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine
CID 43191466
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721691
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721915
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
CID 82709740
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43401048
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
(2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol
CID 97232591
1-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712048
N-[1-(2,5-dimethoxyphenyl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635354
1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine
CID 62632992
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 82944858) is 2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine is COc1ccc(OC)c(C(C)NC(C)CN(C)C)c1.
What is the InChIKey of 2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is JSBFJWVQZVCHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(10-17(3)4)16-12(2)14-9-13(18-5)7-8-15(14)19-6/h7-9,11-12,16H,10H2,1-6H3.
What are the key properties of 2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82944858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).