N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine

C17H30N2O2 — CID 82097748

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCCOc1ccc(CCNCCCN(C)C)cc1OCC
InChIInChI=1S/C17H30N2O2/c1-5-20-16-9-8-15(14-17(16)21-6-2)10-12-18-11-7-13-19(3)4/h8-9,14,18H,5-7,10-13H2,1-4H3
InChIKeyMGMYNMLKFHEDGT-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.57
Rot. Bonds11

About N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine

N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 82097748) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID82097748
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCCOc1ccc(CCNCCCN(C)C)cc1OCC
InChIInChI=1S/C17H30N2O2/c1-5-20-16-9-8-15(14-17(16)21-6-2)10-12-18-11-7-13-19(3)4/h8-9,14,18H,5-7,10-13H2,1-4H3
InChIKeyMGMYNMLKFHEDGT-UHFFFAOYSA-N
XLogP2.57
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.57
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

3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol
CID 82097746
3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 92921079
2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol
CID 39291383
2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
CID 82643956
N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine
CID 115195419
1,2-diethoxy-4-propylbenzene
CID 3995471
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108526714
3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866696
3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866526
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
CID 98014591
5-[(3,4-diethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211681
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine (CID 82097748) is N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine is CCOc1ccc(CCNCCCN(C)C)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is MGMYNMLKFHEDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-20-16-9-8-15(14-17(16)21-6-2)10-12-18-11-7-13-19(3)4/h8-9,14,18H,5-7,10-13H2,1-4H3.
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine?
N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.57, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 82097748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).