1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine

C17H30N2O2 — CID 81035249

IUPAC1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(CN(C)CCOC(C)C)NC)cc1
InChIInChI=1S/C17H30N2O2/c1-6-20-16-9-7-15(8-10-16)17(18-4)13-19(5)11-12-21-14(2)3/h7-10,14,17-18H,6,11-13H2,1-5H3
InChIKeyXXLRDHRNDADXJT-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.70
Rot. Bonds10

About 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine

1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine (PubChem CID 81035249) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
PubChem CID81035249
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(CN(C)CCOC(C)C)NC)cc1
InChIInChI=1S/C17H30N2O2/c1-6-20-16-9-7-15(8-10-16)17(18-4)13-19(5)11-12-21-14(2)3/h7-10,14,17-18H,6,11-13H2,1-5H3
InChIKeyXXLRDHRNDADXJT-UHFFFAOYSA-N
XLogP2.70
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693996
N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 81056664
N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 81058237
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine
CID 81035781
2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol
CID 82214847
1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447281
1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734630
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 63693086
1-(4-ethoxyphenyl)-N-methylheptan-1-amine
CID 114752328
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine (CID 81035249) is 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine is CCOc1ccc(C(CN(C)CCOC(C)C)NC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
The InChIKey is XXLRDHRNDADXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-20-16-9-7-15(8-10-16)17(18-4)13-19(5)11-12-21-14(2)3/h7-10,14,17-18H,6,11-13H2,1-5H3.
What are the key properties of 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 81035249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).