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

C17H30N2O2 — CID 103776970

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccc(C(C)NCCCN(C)C(C)C)c(OC)c1
InChIInChI=1S/C17H30N2O2/c1-13(2)19(4)11-7-10-18-14(3)16-9-8-15(20-5)12-17(16)21-6/h8-9,12-14,18H,7,10-11H2,1-6H3
InChIKeyJDYKWDVTLDCTBE-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.08
Rot. Bonds9

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

N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103776970) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID103776970
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccc(C(C)NCCCN(C)C(C)C)c(OC)c1
InChIInChI=1S/C17H30N2O2/c1-13(2)19(4)11-7-10-18-14(3)16-9-8-15(20-5)12-17(16)21-6/h8-9,12-14,18H,7,10-11H2,1-6H3
InChIKeyJDYKWDVTLDCTBE-UHFFFAOYSA-N
XLogP3.08
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
CID 43195776
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
3-[1-(2,4-dimethoxyphenyl)ethylamino]propanenitrile
CID 43207694
(E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine
CID 113348558
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103881310
1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415755
2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83211772
2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
CID 107303120
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
N'-methyl-N'-propan-2-yl-N-[1-(2,3,4-trichlorophenyl)ethyl]propane-1,3-diamine
CID 106040177

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 103776970) is N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is COc1ccc(C(C)NCCCN(C)C(C)C)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is JDYKWDVTLDCTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13(2)19(4)11-7-10-18-14(3)16-9-8-15(20-5)12-17(16)21-6/h8-9,12-14,18H,7,10-11H2,1-6H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 103776970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).