N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

C17H30N2O — CID 81058237

IUPACN'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCCOCCN(C)CC(NC)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-6-20-12-11-19(5)13-17(18-4)16-9-7-15(8-10-16)14(2)3/h7-10,14,17-18H,6,11-13H2,1-5H3
InChIKeyDJKUFDUNCPCSGE-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.04
Rot. Bonds9

About N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 81058237) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID81058237
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCCOCCN(C)CC(NC)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-6-20-12-11-19(5)13-17(18-4)16-9-7-15(8-10-16)14(2)3/h7-10,14,17-18H,6,11-13H2,1-5H3
InChIKeyDJKUFDUNCPCSGE-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.04
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'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 81056664
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 63693086
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
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 81056552
N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693996
1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63695773
N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 81059330
N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 63465310
N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 63466730
N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 81074409
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 14545863

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (CID 81058237) is N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is CCOCCN(C)CC(NC)c1ccc(C(C)C)cc1.
What is the InChIKey of N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is DJKUFDUNCPCSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-20-12-11-19(5)13-17(18-4)16-9-7-15(8-10-16)14(2)3/h7-10,14,17-18H,6,11-13H2,1-5H3.
What are the key properties of N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 81058237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).