2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine

C17H30N2O — CID 106680723

IUPAC2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine
SMILESCCC(CC)(C(N)c1c(C)cc(C)cc1OC)N(C)C
InChIInChI=1S/C17H30N2O/c1-8-17(9-2,19(5)6)16(18)15-13(4)10-12(3)11-14(15)20-7/h10-11,16H,8-9,18H2,1-7H3
InChIKeyOUWKRDJDJURRAE-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.43
Rot. Bonds6

About 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine

2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine (PubChem CID 106680723) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine
PubChem CID106680723
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine
SMILESCCC(CC)(C(N)c1c(C)cc(C)cc1OC)N(C)C
InChIInChI=1S/C17H30N2O/c1-8-17(9-2,19(5)6)16(18)15-13(4)10-12(3)11-14(15)20-7/h10-11,16H,8-9,18H2,1-7H3
InChIKeyOUWKRDJDJURRAE-UHFFFAOYSA-N
XLogP3.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine
CID 106680712
1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 106682260
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 116911605
[1-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutyl]hydrazine
CID 106682971
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116934935
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine
CID 116945508
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 116946510
3-amino-3-(2-methoxy-4,6-dimethylphenyl)propanenitrile
CID 116851261
1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine
CID 106680616

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine (CID 106680723) is 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine is CCC(CC)(C(N)c1c(C)cc(C)cc1OC)N(C)C.
What is the InChIKey of 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine?
The InChIKey is OUWKRDJDJURRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-8-17(9-2,19(5)6)16(18)15-13(4)10-12(3)11-14(15)20-7/h10-11,16H,8-9,18H2,1-7H3.
What are the key properties of 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine?
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine is sourced from PubChem (CID 106680723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).