N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine

C15H26N2O2 — CID 54986542

IUPACN'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine
SMILESCCNCCN(CC)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H26N2O2/c1-5-16-9-10-17(6-2)12-13-7-8-14(18-3)15(11-13)19-4/h7-8,11,16H,5-6,9-10,12H2,1-4H3
InChIKeyAHTAOIQGNUJQOP-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.14
Rot. Bonds9

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

N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine (PubChem CID 54986542) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine
PubChem CID54986542
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine
SMILESCCNCCN(CC)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H26N2O2/c1-5-16-9-10-17(6-2)12-13-7-8-14(18-3)15(11-13)19-4/h7-8,11,16H,5-6,9-10,12H2,1-4H3
InChIKeyAHTAOIQGNUJQOP-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.14
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-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17295740
N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205912
N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine
CID 103102095
2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol
CID 84746090
N-(2-bromoethyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 80680489
N',N'-diethyl-N-[(4-hexoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54849213
N',N'-diethyl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 17294352
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
CID 102999096
3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile
CID 54943422
N-[(3,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641112
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine?
The IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine (CID 54986542) is N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine?
The canonical SMILES for N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine is CCNCCN(CC)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine?
The InChIKey is AHTAOIQGNUJQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-16-9-10-17(6-2)12-13-7-8-14(18-3)15(11-13)19-4/h7-8,11,16H,5-6,9-10,12H2,1-4H3.
What are the key properties of N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine?
N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine is sourced from PubChem (CID 54986542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).