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

C13H22N2O2 — CID 82084110

IUPACN-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccc(NCCCN(C)C)c(OC)c1
InChIInChI=1S/C13H22N2O2/c1-15(2)9-5-8-14-12-7-6-11(16-3)10-13(12)17-4/h6-7,10,14H,5,8-9H2,1-4H3
InChIKeyJGIYSSAQMLHWSA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.07
Rot. Bonds7

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

N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 82084110) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID82084110
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccc(NCCCN(C)C)c(OC)c1
InChIInChI=1S/C13H22N2O2/c1-15(2)9-5-8-14-12-7-6-11(16-3)10-13(12)17-4/h6-7,10,14H,5,8-9H2,1-4H3
InChIKeyJGIYSSAQMLHWSA-UHFFFAOYSA-N
XLogP2.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525122
2,4-dimethoxy-N-pentylaniline
CID 28570496
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957
2,4-dimethoxy-N-pent-4-ynylaniline
CID 115871890
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82093412
2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561339
N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 10589528
4-N-(2,4-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045814
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea
CID 58817803
2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093801
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine (CID 82084110) is N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine is COc1ccc(NCCCN(C)C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is JGIYSSAQMLHWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(2)9-5-8-14-12-7-6-11(16-3)10-13(12)17-4/h6-7,10,14H,5,8-9H2,1-4H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine?
N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 82084110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).