1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine

C13H22N2O2 — CID 112508474

IUPAC1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
SMILESCOc1ccc(C(CCN)N(C)C)c(OC)c1
InChIInChI=1S/C13H22N2O2/c1-15(2)12(7-8-14)11-6-5-10(16-3)9-13(11)17-4/h5-6,9,12H,7-8,14H2,1-4H3
InChIKeyJGWQNCYPWWYERK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.66
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine

1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine (PubChem CID 112508474) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
PubChem CID112508474
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
SMILESCOc1ccc(C(CCN)N(C)C)c(OC)c1
InChIInChI=1S/C13H22N2O2/c1-15(2)12(7-8-14)11-6-5-10(16-3)9-13(11)17-4/h5-6,9,12H,7-8,14H2,1-4H3
InChIKeyJGWQNCYPWWYERK-UHFFFAOYSA-N
XLogP1.66
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
(1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
CID 93489442
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83938229
1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 116912259
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 61444733
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
2-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanethiol
CID 116908765
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine (CID 112508474) is 1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine is COc1ccc(C(CCN)N(C)C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine?
The InChIKey is JGWQNCYPWWYERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(2)12(7-8-14)11-6-5-10(16-3)9-13(11)17-4/h5-6,9,12H,7-8,14H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine?
1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 112508474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).