N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine

C15H26N2O — CID 115205912

IUPACN-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)Cc1ccc(OC)c(CC)c1
InChIInChI=1S/C15H26N2O/c1-5-14-11-13(7-8-15(14)18-4)12-17(3)10-9-16-6-2/h7-8,11,16H,5-6,9-10,12H2,1-4H3
InChIKeySLUJFNSLHHETGG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.30
Rot. Bonds8

About N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine

N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 115205912) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID115205912
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)Cc1ccc(OC)c(CC)c1
InChIInChI=1S/C15H26N2O/c1-5-14-11-13(7-8-15(14)18-4)12-17(3)10-9-16-6-2/h7-8,11,16H,5-6,9-10,12H2,1-4H3
InChIKeySLUJFNSLHHETGG-UHFFFAOYSA-N
XLogP2.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-ethyl-4-methoxyphenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 115197907
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
1-N-[(3-ethyl-4-methoxyphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199411
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine
CID 62019095
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylpentan-1-amine
CID 62017038
N-ethyl-N'-[(4-methoxy-2,5-dimethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205904
N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115206001
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133450
N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine
CID 54986542
3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135387
2-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251569
[(5-ethyl-2-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228081

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine (CID 115205912) is N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine is CCNCCN(C)Cc1ccc(OC)c(CC)c1.
What is the InChIKey of N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is SLUJFNSLHHETGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-14-11-13(7-8-15(14)18-4)12-17(3)10-9-16-6-2/h7-8,11,16H,5-6,9-10,12H2,1-4H3.
What are the key properties of N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115205912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).