1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine

C18H32N2O — CID 81037022

IUPAC1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)CCOCC)c1cc(C)ccc1C
InChIInChI=1S/C18H32N2O/c1-6-10-19-18(14-20(5)11-12-21-7-2)17-13-15(3)8-9-16(17)4/h8-9,13,18-19H,6-7,10-12,14H2,1-5H3
InChIKeySIZQSTYJMNIDAZ-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.31
Rot. Bonds10

About 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine

1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine (PubChem CID 81037022) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine
PubChem CID81037022
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)CCOCC)c1cc(C)ccc1C
InChIInChI=1S/C18H32N2O/c1-6-10-19-18(14-20(5)11-12-21-7-2)17-13-15(3)8-9-16(17)4/h8-9,13,18-19H,6-7,10-12,14H2,1-5H3
InChIKeySIZQSTYJMNIDAZ-UHFFFAOYSA-N
XLogP3.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.31
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

1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 81056552
N'-(2-ethoxyethyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 81035993
N'-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 63695016
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63697542
N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 81059330
N-[2-(2,2-difluoroethoxy)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 82004844
N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine
CID 81035781
1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236
1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 81059600
1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105120183
1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 81058530
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 63693085

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine (CID 81037022) is 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine is CCCNC(CN(C)CCOCC)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine?
The InChIKey is SIZQSTYJMNIDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-10-19-18(14-20(5)11-12-21-7-2)17-13-15(3)8-9-16(17)4/h8-9,13,18-19H,6-7,10-12,14H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine?
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 81037022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).