N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine

C15H26N2O2 — CID 81056664

IUPACN'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCCOCCN(C)CC(NC)c1ccc(OC)cc1
InChIInChI=1S/C15H26N2O2/c1-5-19-11-10-17(3)12-15(16-2)13-6-8-14(18-4)9-7-13/h6-9,15-16H,5,10-12H2,1-4H3
InChIKeyXDNHCIHORIUBLQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.92
Rot. Bonds9

About N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine

N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 81056664) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID81056664
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCCOCCN(C)CC(NC)c1ccc(OC)cc1
InChIInChI=1S/C15H26N2O2/c1-5-19-11-10-17(3)12-15(16-2)13-6-8-14(18-4)9-7-13/h6-9,15-16H,5,10-12H2,1-4H3
InChIKeyXDNHCIHORIUBLQ-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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

N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 81058237
1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81035249
1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine
CID 81074862
N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693996
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 81056552
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64658169
1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63695773
N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine
CID 81055908
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 63693086
N'-(2-ethoxyethyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 81035993
N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 81059330

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine (CID 81056664) is N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine is CCOCCN(C)CC(NC)c1ccc(OC)cc1.
What is the InChIKey of N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is XDNHCIHORIUBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-19-11-10-17(3)12-15(16-2)13-6-8-14(18-4)9-7-13/h6-9,15-16H,5,10-12H2,1-4H3.
What are the key properties of N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine?
N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 81056664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).